Nicotinyl Alcohol
PubChem CID: 7510
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| Compound Synonyms | 3-PYRIDINEMETHANOL, 100-55-0, pyridin-3-ylmethanol, Nicotinyl alcohol, 3-Pyridylcarbinol, 3-(Hydroxymethyl)pyridine, 3-Pyridylmethanol, Nicotinic alcohol, Roniacol, Pyridylcarbinol, 3-Pyridinylmethanol, Pyridine-3-carbinol, Pyridine-3-methanol, Pyridylmethanol, beta-Pyridylcarbinol, .beta.-Pyridylcarbinol, 3-Picolyl alcohol, (Pyridin-3-yl)methanol, beta-Picolyl alcohol, beta-Pyridinecarbinol, Ro-1-5155, NU-2121, 3-Hydroxymethylpyridine, 3-PYRIDINYLCARBINOL, Pyridyl-3-carbinol, Pyridyl-3-methanol, Niltuvin (free base), RO 1-5155, Pyridin-3-Yl-Methanol, .beta.-Picolyl alcohol, .beta.-Pyridinecarbinol, Nicotinyl alcohol [USAN:BAN], NSC 526046, EINECS 202-864-6, MFCD00006407, 3-Pyridyl carbinol, Roniacol (TN), NSC-526046, BRN 0107851, DTXSID6023367, 3 Hydroxymethylpyridine, C10AD05, omega-Hydroxy-3-picoline, NSC526046, Ro-15155, Nicotinyl alcohol (USAN), 9TF312056Y, NICOTINYL ALCOHOL [MI], DTXCID503367, NICOTINYL ALCOHOL [USAN], CHEBI:45213, NICOTINYL ALCOHOL [MART.], NICOTINYL ALCOHOL [WHO-DD], 5-21-02-00172 (Beilstein Handbook Reference), NU 2121, NCGC00159400-05, NICOTINYL ALCOHOL (MART.), Alcohol, Nicotinic, Alcohol, Nicotinyl, beta Pyridylcarbinol, CAS-100-55-0, SMR000059086, Pyridine 3 Methanol, 3-pyridylmethan-1-ol, (3-Pyridyl)methyl alcohol, 3pyridylcarbinol, 3pyridylmethanol, 3pyridinemethanol, Pyridine3carbinol, 3Picolyl alcohol, UNII-9TF312056Y, 3pyridinylmethanol, 3-Pyridinemthanol, betaPyridylcarbinol, betaPicolyl alcohol, betaPyridinecarbinol, 3-pyridyl methanol, 3-pyridyl-carbinol, 3-pyridine methanol, pyridine 3-methanol, 3-pyridinyl carbinol, PncA Inhibitor, 4, 3hydroxymethylpyridine, Ronicol (Salt/Mix), pyridin-3-yl methanol, ?-Hydroxy-3-picoline, 3-pyridylmethyl alcohol, Pyridine-3-methanol (3-Pyridylcarbinol), 3-hydroxymethyl pyridine, 3-hydroxymethyl-pyridine, 3(Hydroxymethyl)pyridine, nicotinyl-alcohol-tartrate, 3-Pyridinemethanol, 98%, 3-(hydroxymethyl)-pyridine, pyridine, 3-hydroxymethyl-, SCHEMBL16266, MLS000028906, MLS001424215, SCHEMBL9853210, CHEMBL1235535, NICOTINYL ALCOHOL [INCI], BDBM92860, HMS2052G07, HMS2232J07, HMS3372K15, HMS3394G07, Ro15155, BCP20084, HY-B0893, Nicotinyl Alcohol (Pyridylcarbinol), STR00172, Tox21_113448, Tox21_300839, NU2121, AKOS000119474, Tox21_113448_1, 3-Pyridinemethanol, analytical standard, CCG-101090, CS-4356, DB04145, FG-0435, FP34266, NC00340, NCGC00159400-02, NCGC00159400-03, NCGC00159400-04, NCGC00159400-06, NCGC00159400-07, NCGC00257521-01, AC-15599, RO 15155, SY001086, SBI-0052904.P002, DB-012725, DB-218192, NS00003052, P0555, EN300-21373, D05158, P16746, AB00053787_07, Q411732, 3-Pyridinemethanol, Vetec(TM) reagent grade, 98%, BRD-K76600340-045-04-9, F0001-0022, Z104495622 |
|---|---|
| Topological Polar Surface Area | 33.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 65.5 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q92830, Q13951, n.a., P05412 |
| Iupac Name | pyridin-3-ylmethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C6H7NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | 0.827 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.121 |
| Compound Name | Nicotinyl Alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 109.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 109.053 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 109.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9929935999999999 |
| Inchi | InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 |
| Smiles | C1=CC(=CN=C1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all