1,7-Naphthyridine
PubChem CID: 9209
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| Compound Synonyms | 1,7-NAPHTHYRIDINE, 253-69-0, 1,7-Diazanaphthalene, 1,7-Pyridopyridine, UNII-NA3KH11MLA, 1,7-Naphthyridine(6CI,7CI,8CI,9CI), NA3KH11MLA, CHEBI:36626, DTXSID20179944, [1,7]naphthyridine, MFCD11521576, SCHEMBL89126, DTXCID80102435, AKOS006322862, DB-067384, EN300-93348, Q27116906, Z1198330965, Ethyl 4-hydroxy-2-[(4-methoxybenzyl)sulfanyl]-5-pyrimidinecarboxylate #, 838-701-6 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-naphthyridine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Is Pains | False |
| Molecular Formula | C8H6N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MXBVNILGVJVVMH-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 1,7-Naphthyridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.053 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 130.053 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 130.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.09253 |
| Inchi | InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H |
| Smiles | C1=CC2=C(C=NC=C2)N=C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients