6,7-difluoro-1H-indole-5-carbonitrile

C9H4F2N2 — CID 118989891

IUPAC6,7-difluoro-1H-indole-5-carbonitrile
SMILESN#Cc1cc2cc[nH]c2c(F)c1F
InChIInChI=1S/C9H4F2N2/c10-7-6(4-12)3-5-1-2-13-9(5)8(7)11/h1-3,13H
InChIKeyJQZPRMWRTSRJEA-UHFFFAOYSA-N
MW178.14 g/mol
LogP2.32
Rot. Bonds

About 6,7-difluoro-1H-indole-5-carbonitrile

6,7-difluoro-1H-indole-5-carbonitrile (PubChem CID 118989891) has the molecular formula C9H4F2N2 and a molecular weight of 178.14 g/mol. Its IUPAC name is 6,7-difluoro-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name6,7-difluoro-1H-indole-5-carbonitrile
PubChem CID118989891
Molecular FormulaC9H4F2N2
Molecular Weight178.14 g/mol
Exact Mass178.03
IUPAC Name6,7-difluoro-1H-indole-5-carbonitrile
SMILESN#Cc1cc2cc[nH]c2c(F)c1F
InChIInChI=1S/C9H4F2N2/c10-7-6(4-12)3-5-1-2-13-9(5)8(7)11/h1-3,13H
InChIKeyJQZPRMWRTSRJEA-UHFFFAOYSA-N
XLogP2.32
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7-difluoro-1H-indole-5-carbonitrile 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

5-tert-butyl-1H-indole-7-carbonitrile
CID 129148924
5-fluoro-1H-indole-6-carbonitrile
CID 67025317
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
5,7-dimethyl-1H-indole-6-carbonitrile
CID 129148975
2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
CID 167505529
7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 165460779
6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 118939062
ethane;7-fluoro-6-methyl-1H-indole
CID 144716067
2-amino-2-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117302615
5,7-difluoro-1H-indole-6-carboxylic acid
CID 117274550
5-bromo-7-fluoro-1H-indole
CID 3534880
4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 123410275

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1H-indole-5-carbonitrile?
The IUPAC name of 6,7-difluoro-1H-indole-5-carbonitrile (CID 118989891) is 6,7-difluoro-1H-indole-5-carbonitrile.
What is the SMILES notation for 6,7-difluoro-1H-indole-5-carbonitrile?
The canonical SMILES for 6,7-difluoro-1H-indole-5-carbonitrile is N#Cc1cc2cc[nH]c2c(F)c1F.
What is the InChIKey of 6,7-difluoro-1H-indole-5-carbonitrile?
The InChIKey is JQZPRMWRTSRJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N2/c10-7-6(4-12)3-5-1-2-13-9(5)8(7)11/h1-3,13H.
What are the key properties of 6,7-difluoro-1H-indole-5-carbonitrile?
6,7-difluoro-1H-indole-5-carbonitrile has a molecular weight of 178.14 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1H-indole-5-carbonitrile is sourced from PubChem (CID 118989891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).