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

C13H11FN2O2 — CID 62812366

IUPAC2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncccc2C(=O)O)ccc1F
InChIInChI=1S/C13H11FN2O2/c1-8-7-9(4-5-11(8)14)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyKRCWCDDMNOOESV-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

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

2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid (PubChem CID 62812366) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
PubChem CID62812366
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncccc2C(=O)O)ccc1F
InChIInChI=1S/C13H11FN2O2/c1-8-7-9(4-5-11(8)14)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyKRCWCDDMNOOESV-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

2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
2-[(4-methyl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carboxylic acid
CID 166442642
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-(4-acetylanilino)pyridine-3-carboxylic acid
CID 14222049
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid (CID 62812366) is 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid is Cc1cc(Nc2ncccc2C(=O)O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is KRCWCDDMNOOESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-7-9(4-5-11(8)14)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid?
2-(4-fluoro-3-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 2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 62812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).