4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid

C13H11FN2O2 — CID 81233139

IUPAC4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(Nc2ccncc2C(=O)O)c1
InChIInChI=1S/C13H11FN2O2/c1-8-2-3-10(14)12(6-8)16-11-4-5-15-7-9(11)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyMGXDBEAJUIFNEA-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

About 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid

4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid (PubChem CID 81233139) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
PubChem CID81233139
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(Nc2ccncc2C(=O)O)c1
InChIInChI=1S/C13H11FN2O2/c1-8-2-3-10(14)12(6-8)16-11-4-5-15-7-9(11)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyMGXDBEAJUIFNEA-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

4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 143303719
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
4-[(Z)-1-amino-2-hydrazinylethenyl]-N-(2-fluoro-5-methylphenyl)pyridin-3-amine
CID 167104533
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid (CID 81233139) is 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid is Cc1ccc(F)c(Nc2ccncc2C(=O)O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is MGXDBEAJUIFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-2-3-10(14)12(6-8)16-11-4-5-15-7-9(11)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
4-(2-fluoro-5-methylanilino)pyridine-3-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 4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81233139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).