3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid

C12H10BrNO2 — CID 79324593

IUPAC3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(-c2cc[nH]c2C(=O)O)ccc1Br
InChIInChI=1S/C12H10BrNO2/c1-7-6-8(2-3-10(7)13)9-4-5-14-11(9)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyOYZDTSYXKJARDJ-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.45
Rot. Bonds2

About 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid

3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 79324593) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID79324593
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(-c2cc[nH]c2C(=O)O)ccc1Br
InChIInChI=1S/C12H10BrNO2/c1-7-6-8(2-3-10(7)13)9-4-5-14-11(9)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyOYZDTSYXKJARDJ-UHFFFAOYSA-N
XLogP3.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromo-3-methylphenyl)-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

3-(3,4-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324812
3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid
CID 79324522
3-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79325240
3-(2,4-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324740
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
ethyl 3-(3,4-dimethylphenyl)-1H-pyrrole-2-carboxylate
CID 79324734
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrrole-2-carboxylic acid
CID 79325530
3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid
CID 83557559
2-(4-bromo-3-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136791147
3-(2-methoxy-5-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390676
3-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390669
4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 84605719

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid (CID 79324593) is 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid is Cc1cc(-c2cc[nH]c2C(=O)O)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is OYZDTSYXKJARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-7-6-8(2-3-10(7)13)9-4-5-14-11(9)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid?
3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 280.12 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).