5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid

C15H13FN2O3 — CID 104638237

IUPAC5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)c2ccc(F)cn2)cc(C(=O)O)c1C
InChIInChI=1S/C15H13FN2O3/c1-8-5-11(6-12(9(8)2)15(20)21)18-14(19)13-4-3-10(16)7-17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPOFKKGGNDHCNCC-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.79
Rot. Bonds3

About 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid

5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid (PubChem CID 104638237) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
PubChem CID104638237
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)c2ccc(F)cn2)cc(C(=O)O)c1C
InChIInChI=1S/C15H13FN2O3/c1-8-5-11(6-12(9(8)2)15(20)21)18-14(19)13-4-3-10(16)7-17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPOFKKGGNDHCNCC-UHFFFAOYSA-N
XLogP2.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic 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

N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
CID 123137706
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030951
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63020357
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 104638375
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid (CID 104638237) is 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)c2ccc(F)cn2)cc(C(=O)O)c1C.
What is the InChIKey of 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid?
The InChIKey is POFKKGGNDHCNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-8-5-11(6-12(9(8)2)15(20)21)18-14(19)13-4-3-10(16)7-17-13/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid?
5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 104638237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).