3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid

C15H9BrFNO2 — CID 135324691

IUPAC3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1Br
InChIInChI=1S/C15H9BrFNO2/c16-13-11-7-9(8-1-4-10(17)5-2-8)3-6-12(11)18-14(13)15(19)20/h1-7,18H,(H,19,20)
InChIKeyIBEZPJDDPCYBNM-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.43
Rot. Bonds2

About 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid

3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid (PubChem CID 135324691) has the molecular formula C15H9BrFNO2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid
PubChem CID135324691
Molecular FormulaC15H9BrFNO2
Molecular Weight334.14 g/mol
Exact Mass332.98
IUPAC Name3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1Br
InChIInChI=1S/C15H9BrFNO2/c16-13-11-7-9(8-1-4-10(17)5-2-8)3-6-12(11)18-14(13)15(19)20/h1-7,18H,(H,19,20)
InChIKeyIBEZPJDDPCYBNM-UHFFFAOYSA-N
XLogP4.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
5-bromo-3-fluoro-1H-indole-2-carboxylic acid
CID 83853706
3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 10469448
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
5-fluoro-3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214080
7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
CID 75478956
3-(2-aminopropyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 170891713
3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
CID 82120262
5-amino-4-bromo-1H-indole-2-carboxylic acid
CID 82380856
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid (CID 135324691) is 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccc(-c3ccc(F)cc3)cc2c1Br.
What is the InChIKey of 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
The InChIKey is IBEZPJDDPCYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2/c16-13-11-7-9(8-1-4-10(17)5-2-8)3-6-12(11)18-14(13)15(19)20/h1-7,18H,(H,19,20).
What are the key properties of 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid has a molecular weight of 334.14 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 135324691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).