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

C13H11FN2O2 — CID 43326134

IUPAC4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
SMILESCc1cc(F)ccc1Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H11FN2O2/c1-8-6-9(14)2-3-11(8)16-10-4-5-15-12(7-10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyIPSIMJUPFHJYQR-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

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

4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid (PubChem CID 43326134) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
PubChem CID43326134
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
SMILESCc1cc(F)ccc1Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H11FN2O2/c1-8-6-9(14)2-3-11(8)16-10-4-5-15-12(7-10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyIPSIMJUPFHJYQR-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

Analyze 4-(4-fluoro-2-methylanilino)pyridine-2-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

Related Compounds

4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
4-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528832
4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
CID 103586357
4-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 82819801
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
azepan-1-yl-[4-(2,4-difluoroanilino)-2-pyridinyl]methanone
CID 109218613
4-(3-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43326161
4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
CID 43326079
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid (CID 43326134) is 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid is Cc1cc(F)ccc1Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is IPSIMJUPFHJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-6-9(14)2-3-11(8)16-10-4-5-15-12(7-10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid?
4-(4-fluoro-2-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 4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43326134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).