6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid

C19H13F3N2O2 — CID 59488739

IUPAC6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2nc(Nc3c(F)cccc3F)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C19H13F3N2O2/c1-10-5-6-11(15(22)9-10)17-12(19(25)26)7-8-16(23-17)24-18-13(20)3-2-4-14(18)21/h2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyWGXVAHPRHLGGHV-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.92
Rot. Bonds4

About 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid

6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 59488739) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
PubChem CID59488739
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2nc(Nc3c(F)cccc3F)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C19H13F3N2O2/c1-10-5-6-11(15(22)9-10)17-12(19(25)26)7-8-16(23-17)24-18-13(20)3-2-4-14(18)21/h2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyWGXVAHPRHLGGHV-UHFFFAOYSA-N
XLogP4.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid (CID 59488739) is 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid is Cc1ccc(-c2nc(Nc3c(F)cccc3F)ccc2C(=O)O)c(F)c1.
What is the InChIKey of 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is WGXVAHPRHLGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c1-10-5-6-11(15(22)9-10)17-12(19(25)26)7-8-16(23-17)24-18-13(20)3-2-4-14(18)21/h2-9H,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid?
6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 358.32 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59488739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).