2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid

C14H11FN2O4 — CID 115496535

IUPAC2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C14H11FN2O4/c1-21-8-5-6-9(14(19)20)11(7-8)17-13(18)10-3-2-4-12(15)16-10/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWUCAFEPQJAYQAC-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.18
Rot. Bonds4

About 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid

2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid (PubChem CID 115496535) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
PubChem CID115496535
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C14H11FN2O4/c1-21-8-5-6-9(14(19)20)11(7-8)17-13(18)10-3-2-4-12(15)16-10/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWUCAFEPQJAYQAC-UHFFFAOYSA-N
XLogP2.18
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(5-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 113342916
2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 104638375
N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496998
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
4-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoic acid
CID 115411101

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid (CID 115496535) is 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)c2cccc(F)n2)c1.
What is the InChIKey of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is WUCAFEPQJAYQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-8-5-6-9(14(19)20)11(7-8)17-13(18)10-3-2-4-12(15)16-10/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid has a molecular weight of 290.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 115496535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).