4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid

C14H10F2N2O3 — CID 105380758

IUPAC4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H10F2N2O3/c1-7-6-8(14(20)21)2-3-10(7)18-13(19)9-4-5-17-12(16)11(9)15/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyVSMHGKVGYPFKEF-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.62
Rot. Bonds3

About 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid

4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 105380758) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
PubChem CID105380758
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H10F2N2O3/c1-7-6-8(14(20)21)2-3-10(7)18-13(19)9-4-5-17-12(16)11(9)15/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyVSMHGKVGYPFKEF-UHFFFAOYSA-N
XLogP2.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
2,3-difluoro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 105380636
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid (CID 105380758) is 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccnc(F)c1F.
What is the InChIKey of 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is VSMHGKVGYPFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-7-6-8(14(20)21)2-3-10(7)18-13(19)9-4-5-17-12(16)11(9)15/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid?
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 292.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 105380758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).