2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid

C14H11FN2O4 — CID 104638375

IUPAC2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C14H11FN2O4/c1-21-9-3-4-10(14(19)20)12(6-9)17-13(18)11-5-2-8(15)7-16-11/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyYSHJRZDZQTWRSG-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.18
Rot. Bonds4

About 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid

2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid (PubChem CID 104638375) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
PubChem CID104638375
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C14H11FN2O4/c1-21-9-3-4-10(14(19)20)12(6-9)17-13(18)11-5-2-8(15)7-16-11/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyYSHJRZDZQTWRSG-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

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Related Compounds

4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 115496535
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
4-methoxy-2-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467377
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
4-methoxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115411071
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid (CID 104638375) is 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is YSHJRZDZQTWRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-9-3-4-10(14(19)20)12(6-9)17-13(18)11-5-2-8(15)7-16-11/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid?
2-[(5-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-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 104638375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).