3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid

C13H11FN2O4 — CID 107013823

IUPAC3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(F)cc2O)c(C(=O)O)[nH]1
InChIInChI=1S/C13H11FN2O4/c1-6-4-9(11(15-6)13(19)20)16-12(18)8-3-2-7(14)5-10(8)17/h2-5,15,17H,1H3,(H,16,18)(H,19,20)
InChIKeyALPRDFTWFUITJW-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.12
Rot. Bonds3

About 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid

3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 107013823) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID107013823
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(F)cc2O)c(C(=O)O)[nH]1
InChIInChI=1S/C13H11FN2O4/c1-6-4-9(11(15-6)13(19)20)16-12(18)8-3-2-7(14)5-10(8)17/h2-5,15,17H,1H3,(H,16,18)(H,19,20)
InChIKeyALPRDFTWFUITJW-UHFFFAOYSA-N
XLogP2.12
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483076
3-[(2-chloro-4-methylbenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106860696
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970
N-(2,3-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888089
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103830032
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid (CID 107013823) is 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid is Cc1cc(NC(=O)c2ccc(F)cc2O)c(C(=O)O)[nH]1.
What is the InChIKey of 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is ALPRDFTWFUITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-6-4-9(11(15-6)13(19)20)16-12(18)8-3-2-7(14)5-10(8)17/h2-5,15,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 278.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 107013823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).