2,5,6-trichloro-1H-indole-3-carbonitrile

C9H3Cl3N2 — CID 82269544

IUPAC2,5,6-trichloro-1H-indole-3-carbonitrile
SMILESN#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C9H3Cl3N2/c10-6-1-4-5(3-13)9(12)14-8(4)2-7(6)11/h1-2,14H
InChIKeyCIASEDSKXNOKMG-UHFFFAOYSA-N
MW245.50 g/mol
LogP4.00
Rot. Bonds

About 2,5,6-trichloro-1H-indole-3-carbonitrile

2,5,6-trichloro-1H-indole-3-carbonitrile (PubChem CID 82269544) has the molecular formula C9H3Cl3N2 and a molecular weight of 245.50 g/mol. Its IUPAC name is 2,5,6-trichloro-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2,5,6-trichloro-1H-indole-3-carbonitrile
PubChem CID82269544
Molecular FormulaC9H3Cl3N2
Molecular Weight245.50 g/mol
Exact Mass243.94
IUPAC Name2,5,6-trichloro-1H-indole-3-carbonitrile
SMILESN#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C9H3Cl3N2/c10-6-1-4-5(3-13)9(12)14-8(4)2-7(6)11/h1-2,14H
InChIKeyCIASEDSKXNOKMG-UHFFFAOYSA-N
XLogP4.00
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5,6-trichloro-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

Related Compounds

2,7-dichloro-1H-indole-3-carbonitrile
CID 82269323
5,6-dichloro-3-formyl-1H-indole-2-carbonitrile
CID 135008410
5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 162547026
5,6-dichloro-1H-indole-2-carbonitrile
CID 137347280
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
2-(6,7-dichloro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82247017
4,5-dichloro-1H-pyrrole-2-carbonitrile
CID 15171143
methyl 2-chloro-3-cyano-1H-indole-7-carboxylate
CID 56605259
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
5-chloro-2-iodo-6-oxo-7H-thieno[2,3-b]pyridine-3-carbonitrile
CID 165122994
5-chloro-2-phenyl-1H-indole-3-carbonitrile
CID 22083583
2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010180

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-1H-indole-3-carbonitrile?
The IUPAC name of 2,5,6-trichloro-1H-indole-3-carbonitrile (CID 82269544) is 2,5,6-trichloro-1H-indole-3-carbonitrile.
What is the SMILES notation for 2,5,6-trichloro-1H-indole-3-carbonitrile?
The canonical SMILES for 2,5,6-trichloro-1H-indole-3-carbonitrile is N#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 2,5,6-trichloro-1H-indole-3-carbonitrile?
The InChIKey is CIASEDSKXNOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3N2/c10-6-1-4-5(3-13)9(12)14-8(4)2-7(6)11/h1-2,14H.
What are the key properties of 2,5,6-trichloro-1H-indole-3-carbonitrile?
2,5,6-trichloro-1H-indole-3-carbonitrile has a molecular weight of 245.50 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-1H-indole-3-carbonitrile is sourced from PubChem (CID 82269544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).