3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine
C85H83ClF9N17O7 — CID 160536241
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1ncc(C)cc1Cl.COc1ncc(C)cc1F.COc1ncc(C)cn1.Cc1ccc(-c2ncco2)cn1.Cc1ccc(-c2ncco2)nc1.Cc1ccc(OCC(F)(F)F)nc1.Cc1cnc(-c2ncco2)nc1.Cc1cnc(C(F)(F)F)c(F)c1.Cc1cnc(F)c(C)c1.Cc1cnc2ccccc2c1.[C-]#[N+]c1ccc(C)cn1
InChIInChI=1S/C10H9N.2C9H8N2O.C8H8F3NO.C8H7N3O.C7H8ClNO.C7H5F4N.C7H8FNO.C7H8FN.C7H6N2.C6H8N2O/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-2-3-8(6-11-7)9-10-4-5-12-9;1-7-2-3-8(11-6-7)9-10-4-5-12-9;1-6-2-3-7(12-4-6)13-5-8(9,10)11;1-6-4-10-7(11-5-6)8-9-2-3-12-8;1-5-3-6(8)7(10-2)9-4-5;1-4-2-5(8)6(12-3-4)7(9,10)11;1-5-3-6(8)7(10-2)9-4-5;1-5-3-6(2)7(8)9-4-5;1-6-3-4-7(8-2)9-5-6;1-5-3-7-6(9-2)8-4-5/h2-7H,1H3;2*2-6H,1H3;2-4H,5H2,1H3;2-5H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;3-4H,1-2H3;3-5H,1H3;3-4H,1-2H3
InChIKeyQWETYOMQIBYOCJ-UHFFFAOYSA-N
MW1661.15 g/mol
LogP21.11
Rot. Bonds8
About 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine
3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 160536241) has the molecular formula C85H83ClF9N17O7 and a molecular weight of 1661.15 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine.
Molecular Properties
| Compound Name | 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine |
|---|---|
| PubChem CID | 160536241 |
| Molecular Formula | C85H83ClF9N17O7 |
| Molecular Weight | 1661.15 g/mol |
| Exact Mass | 1659.62 |
| IUPAC Name | 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine |
| SMILES | COc1ncc(C)cc1Cl.COc1ncc(C)cc1F.COc1ncc(C)cn1.Cc1ccc(-c2ncco2)cn1.Cc1ccc(-c2ncco2)nc1.Cc1ccc(OCC(F)(F)F)nc1.Cc1cnc(-c2ncco2)nc1.Cc1cnc(C(F)(F)F)c(F)c1.Cc1cnc(F)c(C)c1.Cc1cnc2ccccc2c1.[C-]#[N+]c1ccc(C)cn1 |
| InChI | InChI=1S/C10H9N.2C9H8N2O.C8H8F3NO.C8H7N3O.C7H8ClNO.C7H5F4N.C7H8FNO.C7H8FN.C7H6N2.C6H8N2O/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-2-3-8(6-11-7)9-10-4-5-12-9;1-7-2-3-8(11-6-7)9-10-4-5-12-9;1-6-2-3-7(12-4-6)13-5-8(9,10)11;1-6-4-10-7(11-5-6)8-9-2-3-12-8;1-5-3-6(8)7(10-2)9-4-5;1-4-2-5(8)6(12-3-4)7(9,10)11;1-5-3-6(8)7(10-2)9-4-5;1-5-3-6(2)7(8)9-4-5;1-6-3-4-7(8-2)9-5-6;1-5-3-7-6(9-2)8-4-5/h2-7H,1H3;2*2-6H,1H3;2-4H,5H2,1H3;2-5H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;3-4H,1-2H3;3-5H,1H3;3-4H,1-2H3 |
| InChIKey | QWETYOMQIBYOCJ-UHFFFAOYSA-N |
| XLogP | 21.11 |
| TPSA | 286.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 119 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1661.15 |
| LogP ≤ 5 | 21.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine (CID 160536241) is 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine is COc1ncc(C)cc1Cl.COc1ncc(C)cc1F.COc1ncc(C)cn1.Cc1ccc(-c2ncco2)cn1.Cc1ccc(-c2ncco2)nc1.Cc1ccc(OCC(F)(F)F)nc1.Cc1cnc(-c2ncco2)nc1.Cc1cnc(C(F)(F)F)c(F)c1.Cc1cnc(F)c(C)c1.Cc1cnc2ccccc2c1.[C-]#[N+]c1ccc(C)cn1.
What is the InChIKey of 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is QWETYOMQIBYOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.2C9H8N2O.C8H8F3NO.C8H7N3O.C7H8ClNO.C7H5F4N.C7H8FNO.C7H8FN.C7H6N2.C6H8N2O/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-2-3-8(6-11-7)9-10-4-5-12-9;1-7-2-3-8(11-6-7)9-10-4-5-12-9;1-6-2-3-7(12-4-6)13-5-8(9,10)11;1-6-4-10-7(11-5-6)8-9-2-3-12-8;1-5-3-6(8)7(10-2)9-4-5;1-4-2-5(8)6(12-3-4)7(9,10)11;1-5-3-6(8)7(10-2)9-4-5;1-5-3-6(2)7(8)9-4-5;1-6-3-4-7(8-2)9-5-6;1-5-3-7-6(9-2)8-4-5/h2-7H,1H3;2*2-6H,1H3;2-4H,5H2,1H3;2-5H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;3-4H,1-2H3;3-5H,1H3;3-4H,1-2H3.
What are the key properties of 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine?
3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 1661.15 g/mol, XLogP of 21.11, 8 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-methylpyridine;2-fluoro-3,5-dimethylpyridine;3-fluoro-2-methoxy-5-methylpyridine;3-fluoro-5-methyl-2-(trifluoromethyl)pyridine;2-isocyano-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-(5-methyl-2-pyridinyl)-1,3-oxazole;2-(6-methyl-3-pyridinyl)-1,3-oxazole;2-(5-methylpyrimidin-2-yl)-1,3-oxazole;3-methylquinoline;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 160536241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 160536241 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.