2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine

C12H7Cl3FNO — CID 134637483

IUPAC2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine
SMILESCOc1c(-c2cc(Cl)cc(Cl)c2Cl)ccnc1F
InChIInChI=1S/C12H7Cl3FNO/c1-18-11-7(2-3-17-12(11)16)8-4-6(13)5-9(14)10(8)15/h2-5H,1H3
InChIKeySVZOCBYYCASWGM-UHFFFAOYSA-N
MW306.55 g/mol
LogP4.86
Rot. Bonds2

About 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine

2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine (PubChem CID 134637483) has the molecular formula C12H7Cl3FNO and a molecular weight of 306.55 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine
PubChem CID134637483
Molecular FormulaC12H7Cl3FNO
Molecular Weight306.55 g/mol
Exact Mass304.96
IUPAC Name2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine
SMILESCOc1c(-c2cc(Cl)cc(Cl)c2Cl)ccnc1F
InChIInChI=1S/C12H7Cl3FNO/c1-18-11-7(2-3-17-12(11)16)8-4-6(13)5-9(14)10(8)15/h2-5H,1H3
InChIKeySVZOCBYYCASWGM-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 134637480
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494
5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303
4-(4-bromophenyl)-2-fluoro-3-methoxypyridine
CID 163198018
2-fluoro-3-methoxy-4-methylpyridine
CID 123887347
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine
CID 116904284
4-(3,5-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133090712
4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
CID 133092564
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine?
The IUPAC name of 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine (CID 134637483) is 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine?
The canonical SMILES for 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine is COc1c(-c2cc(Cl)cc(Cl)c2Cl)ccnc1F.
What is the InChIKey of 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine?
The InChIKey is SVZOCBYYCASWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FNO/c1-18-11-7(2-3-17-12(11)16)8-4-6(13)5-9(14)10(8)15/h2-5H,1H3.
What are the key properties of 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine?
2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine has a molecular weight of 306.55 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).