2,3-Lutidine
PubChem CID: 11420
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| Compound Synonyms | 2,3-Lutidine, 2,3-DIMETHYLPYRIDINE, 583-61-9, Pyridine, 2,3-dimethyl-, DIMETHYLPYRIDINE, 2,3-dimethyl-pyridine, 5Q0F649H6G, NSC 2157, NSC-2157, EINECS 209-514-1, AI3-24280, DTXSID6060395, Pyridine, dimethyl-, MFCD00009605, UNII-5Q0F649H6G, 2,3dimethylpyridine, EINECS 248-287-3, 2-3-Lutidine, Pyridine,3-dimethyl-, 2,3-d1methylpyridine, Pyridine, 2,3dimethyl, 2,3-Lutidine (8CI), 2,3-Lutidine, 99%, SCHEMBL65397, CHEMBL3303914, DTXCID1042360, NSC2157, BCP26360, AKOS009028879, CS-W011290, BP-21057, CS-17343, DB-024146, L0063, NS00022423, EN300-19111, P19755, A831849, Q27262718, 2,3-Dimethylpyridine, Dimethylpyridine, Pyridine, 2,3-dimethyl-, 209-514-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | Ccncccc6C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Methylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H9N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | HPYNZHMRTTWQTB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-dimethylpyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2,3-Lutidine |
| Exact Mass | 107.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 107.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 107.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3 |
| Smiles | CC1=C(N=CC=C1)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699005