2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine

C13H7Cl3F3NO — CID 134636496

IUPAC2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESCOc1nccc(-c2ccc(Cl)c(Cl)c2Cl)c1C(F)(F)F
InChIInChI=1S/C13H7Cl3F3NO/c1-21-12-9(13(17,18)19)6(4-5-20-12)7-2-3-8(14)11(16)10(7)15/h2-5H,1H3
InChIKeyLFGKMGYXKHNSKC-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.74
Rot. Bonds2

About 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine

2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 134636496) has the molecular formula C13H7Cl3F3NO and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID134636496
Molecular FormulaC13H7Cl3F3NO
Molecular Weight356.56 g/mol
Exact Mass354.95
IUPAC Name2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESCOc1nccc(-c2ccc(Cl)c(Cl)c2Cl)c1C(F)(F)F
InChIInChI=1S/C13H7Cl3F3NO/c1-21-12-9(13(17,18)19)6(4-5-20-12)7-2-3-8(14)11(16)10(7)15/h2-5H,1H3
InChIKeyLFGKMGYXKHNSKC-UHFFFAOYSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
3,4-dichloro-2-methoxypyridine
CID 57485134
2-methoxy-3-(trifluoromethyl)pyridin-4-amine
CID 118806319
3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134637890
2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 134620714
2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118704417
1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 119017007
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
CID 130089712
2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848
6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 134636496) is 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine is COc1nccc(-c2ccc(Cl)c(Cl)c2Cl)c1C(F)(F)F.
What is the InChIKey of 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is LFGKMGYXKHNSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO/c1-21-12-9(13(17,18)19)6(4-5-20-12)7-2-3-8(14)11(16)10(7)15/h2-5H,1H3.
What are the key properties of 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine?
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 356.56 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134636496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).