7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid

C16H11BrFNO2 — CID 10020630

IUPAC7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid
SMILESCc1ccc(Br)c2[nH]c(C(=O)O)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H11BrFNO2/c1-8-2-7-11(17)14-12(8)13(15(19-14)16(20)21)9-3-5-10(18)6-4-9/h2-7,19H,1H3,(H,20,21)
InChIKeyNEYWPNCKDCZBSN-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.74
Rot. Bonds2

About 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid

7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid (PubChem CID 10020630) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid
PubChem CID10020630
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid
SMILESCc1ccc(Br)c2[nH]c(C(=O)O)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H11BrFNO2/c1-8-2-7-11(17)14-12(8)13(15(19-14)16(20)21)9-3-5-10(18)6-4-9/h2-7,19H,1H3,(H,20,21)
InChIKeyNEYWPNCKDCZBSN-UHFFFAOYSA-N
XLogP4.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-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-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid
CID 129187441
3-acetyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 84626563
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 10469448
4,7-dimethyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84626604
3-(4-fluorophenyl)-1,5-dimethylpyrrole-2,4-dicarboxylic acid
CID 164523385
7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
3,6,7-trimethyl-1H-indole-2-carboxylic acid
CID 21239696
3-bromo-6-(4-sulfamoylphenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 135385618
3-(4-bromo-3-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324593
3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 135324691
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
4-bromo-7-methyl-1H-indole-3-carboxylic acid
CID 130048536

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid (CID 10020630) is 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid is Cc1ccc(Br)c2[nH]c(C(=O)O)c(-c3ccc(F)cc3)c12.
What is the InChIKey of 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid?
The InChIKey is NEYWPNCKDCZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-8-2-7-11(17)14-12(8)13(15(19-14)16(20)21)9-3-5-10(18)6-4-9/h2-7,19H,1H3,(H,20,21).
What are the key properties of 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid?
7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid has a molecular weight of 348.17 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(4-fluorophenyl)-4-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 10020630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).