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

C14H11FN2O4 — CID 104785687

IUPAC2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2cncc(F)c2)c(C(=O)O)c1
InChIInChI=1S/C14H11FN2O4/c1-21-10-2-3-12(11(5-10)14(19)20)17-13(18)8-4-9(15)7-16-6-8/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyXDTWTYYSCGLJSR-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.18
Rot. Bonds4

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

2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid (PubChem CID 104785687) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
PubChem CID104785687
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2cncc(F)c2)c(C(=O)O)c1
InChIInChI=1S/C14H11FN2O4/c1-21-10-2-3-12(11(5-10)14(19)20)17-13(18)8-4-9(15)7-16-6-8/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyXDTWTYYSCGLJSR-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

2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109245646
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 104638375
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid (CID 104785687) is 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)c2cncc(F)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is XDTWTYYSCGLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-10-2-3-12(11(5-10)14(19)20)17-13(18)8-4-9(15)7-16-6-8/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid?
2-[(5-fluoropyridine-3-carbonyl)amino]-5-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-3-carbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 104785687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).