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

C14H11FN2O3 — CID 61295104

IUPAC3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccnc(F)c2)cccc1C(=O)O
InChIInChI=1S/C14H11FN2O3/c1-8-10(14(19)20)3-2-4-11(8)17-13(18)9-5-6-16-12(15)7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLUBRQONMFBRNIR-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.48
Rot. Bonds3

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

3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 61295104) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
PubChem CID61295104
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccnc(F)c2)cccc1C(=O)O
InChIInChI=1S/C14H11FN2O3/c1-8-10(14(19)20)3-2-4-11(8)17-13(18)9-5-6-16-12(15)7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLUBRQONMFBRNIR-UHFFFAOYSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.48
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

2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
CID 61293813
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
2-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 61259573
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid (CID 61295104) is 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid is Cc1c(NC(=O)c2ccnc(F)c2)cccc1C(=O)O.
What is the InChIKey of 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is LUBRQONMFBRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-8-10(14(19)20)3-2-4-11(8)17-13(18)9-5-6-16-12(15)7-9/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid?
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 61295104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).