2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

C19H14F2N2O3 — CID 24986824

IUPAC2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyOMPATGZMNFWVOH-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.48
Rot. Bonds5

About 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (PubChem CID 24986824) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
PubChem CID24986824
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyOMPATGZMNFWVOH-UHFFFAOYSA-N
XLogP4.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (CID 24986824) is 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is OMPATGZMNFWVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24986824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).