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

C12H7Cl3FNO — CID 134637494

IUPAC3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
SMILESCOc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C12H7Cl3FNO/c1-18-7-4-10(16)12(17-5-7)8-2-6(13)3-9(14)11(8)15/h2-5H,1H3
InChIKeyWBUJYBPXTYWCEW-UHFFFAOYSA-N
MW306.55 g/mol
LogP4.86
Rot. Bonds2

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

3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine (PubChem CID 134637494) has the molecular formula C12H7Cl3FNO and a molecular weight of 306.55 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
PubChem CID134637494
Molecular FormulaC12H7Cl3FNO
Molecular Weight306.55 g/mol
Exact Mass304.96
IUPAC Name3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
SMILESCOc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C12H7Cl3FNO/c1-18-7-4-10(16)12(17-5-7)8-2-6(13)3-9(14)11(8)15/h2-5H,1H3
InChIKeyWBUJYBPXTYWCEW-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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303
2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine
CID 134637483
3-chloro-2-(2,3-difluorophenyl)-5-methoxypyridine
CID 133088408
5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
CID 18466521
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
CID 133092564
1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene
CID 118818698
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine?
The IUPAC name of 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine (CID 134637494) is 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine.
What is the SMILES notation for 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine?
The canonical SMILES for 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine is COc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(F)c1.
What is the InChIKey of 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine?
The InChIKey is WBUJYBPXTYWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FNO/c1-18-7-4-10(16)12(17-5-7)8-2-6(13)3-9(14)11(8)15/h2-5H,1H3.
What are the key properties of 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine?
3-fluoro-5-methoxy-2-(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 3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).