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

C13H11FN2O2 — CID 105062559

IUPAC3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1Nc1cnccc1C(=O)O
InChIInChI=1S/C13H11FN2O2/c1-8-6-9(14)2-3-11(8)16-12-7-15-5-4-10(12)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyUCVWEMBDWKKCEG-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

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

3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid (PubChem CID 105062559) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
PubChem CID105062559
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1Nc1cnccc1C(=O)O
InChIInChI=1S/C13H11FN2O2/c1-8-6-9(14)2-3-11(8)16-12-7-15-5-4-10(12)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyUCVWEMBDWKKCEG-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-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
5,6-dichloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 118412477
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
CID 66271663
4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53229231
4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
CID 43326134
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
CID 150717053
3-(4-bromo-2-methylanilino)pyridine-4-carbohydrazide
CID 67250791
5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 155452459

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid (CID 105062559) is 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid is Cc1cc(F)ccc1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid?
The InChIKey is UCVWEMBDWKKCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-6-9(14)2-3-11(8)16-12-7-15-5-4-10(12)13(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid?
3-(4-fluoro-2-methylanilino)pyridine-4-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 3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105062559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).