6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid

C13H11FN2O2 — CID 62254300

IUPAC6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
SMILESCc1ccc(F)c(Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C13H11FN2O2/c1-8-5-6-9(14)11(7-8)16-12-4-2-3-10(15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyZCXULWMXUFYEGB-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

About 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid

6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid (PubChem CID 62254300) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
PubChem CID62254300
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
SMILESCc1ccc(F)c(Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C13H11FN2O2/c1-8-5-6-9(14)11(7-8)16-12-4-2-3-10(15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyZCXULWMXUFYEGB-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-hydroxy-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63642015
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
CID 62240911
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63643427
6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 106860571
6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 103874101
6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
CID 80646846
6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263728
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid (CID 62254300) is 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid is Cc1ccc(F)c(Nc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is ZCXULWMXUFYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-5-6-9(14)11(7-8)16-12-4-2-3-10(15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid?
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62254300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).