4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid

C13H10FNO3 — CID 43340300

IUPAC4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(C(=O)c2c[nH]c(C(=O)O)c2)cc1F
InChIInChI=1S/C13H10FNO3/c1-7-2-3-8(4-10(7)14)12(16)9-5-11(13(17)18)15-6-9/h2-6,15H,1H3,(H,17,18)
InChIKeyUUQSMQUGIJNDOK-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.39
Rot. Bonds3

About 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid

4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 43340300) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID43340300
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(C(=O)c2c[nH]c(C(=O)O)c2)cc1F
InChIInChI=1S/C13H10FNO3/c1-7-2-3-8(4-10(7)14)12(16)9-5-11(13(17)18)15-6-9/h2-6,15H,1H3,(H,17,18)
InChIKeyUUQSMQUGIJNDOK-UHFFFAOYSA-N
XLogP2.39
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-(2,4,6-trimethylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340298
4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764444
4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 115353710
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764442
4-(3-fluoro-4-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340358
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid (CID 43340300) is 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid is Cc1ccc(C(=O)c2c[nH]c(C(=O)O)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is UUQSMQUGIJNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-7-2-3-8(4-10(7)14)12(16)9-5-11(13(17)18)15-6-9/h2-6,15H,1H3,(H,17,18).
What are the key properties of 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid?
4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 247.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43340300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).