5-bromo-7-fluoro-1H-indole-3-carbonitrile

C9H4BrFN2 — CID 67356040

IUPAC5-bromo-7-fluoro-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C9H4BrFN2/c10-6-1-7-5(3-12)4-13-9(7)8(11)2-6/h1-2,4,13H
InChIKeyVKEIRCHBSWTWQD-UHFFFAOYSA-N
MW239.05 g/mol
LogP2.94
Rot. Bonds

About 5-bromo-7-fluoro-1H-indole-3-carbonitrile

5-bromo-7-fluoro-1H-indole-3-carbonitrile (PubChem CID 67356040) has the molecular formula C9H4BrFN2 and a molecular weight of 239.05 g/mol. Its IUPAC name is 5-bromo-7-fluoro-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-7-fluoro-1H-indole-3-carbonitrile
PubChem CID67356040
Molecular FormulaC9H4BrFN2
Molecular Weight239.05 g/mol
Exact Mass237.95
IUPAC Name5-bromo-7-fluoro-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C9H4BrFN2/c10-6-1-7-5(3-12)4-13-9(7)8(11)2-6/h1-2,4,13H
InChIKeyVKEIRCHBSWTWQD-UHFFFAOYSA-N
XLogP2.94
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-7-fluoro-1H-indole-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-1H-indole-3-carbonitrile?
The IUPAC name of 5-bromo-7-fluoro-1H-indole-3-carbonitrile (CID 67356040) is 5-bromo-7-fluoro-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-bromo-7-fluoro-1H-indole-3-carbonitrile?
The canonical SMILES for 5-bromo-7-fluoro-1H-indole-3-carbonitrile is N#Cc1c[nH]c2c(F)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-fluoro-1H-indole-3-carbonitrile?
The InChIKey is VKEIRCHBSWTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN2/c10-6-1-7-5(3-12)4-13-9(7)8(11)2-6/h1-2,4,13H.
What are the key properties of 5-bromo-7-fluoro-1H-indole-3-carbonitrile?
5-bromo-7-fluoro-1H-indole-3-carbonitrile has a molecular weight of 239.05 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-1H-indole-3-carbonitrile is sourced from PubChem (CID 67356040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).