2-(iodomethyl)-1H-indole-3-carbonitrile

C10H7IN2 — CID 54202927

IUPAC2-(iodomethyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(CI)[nH]c2ccccc12
InChIInChI=1S/C10H7IN2/c11-5-10-8(6-12)7-3-1-2-4-9(7)13-10/h1-4,13H,5H2
InChIKeyPQNBNMMPIPAFQZ-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.97
Rot. Bonds1

About 2-(iodomethyl)-1H-indole-3-carbonitrile

2-(iodomethyl)-1H-indole-3-carbonitrile (PubChem CID 54202927) has the molecular formula C10H7IN2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 2-(iodomethyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(iodomethyl)-1H-indole-3-carbonitrile
PubChem CID54202927
Molecular FormulaC10H7IN2
Molecular Weight282.08 g/mol
Exact Mass281.97
IUPAC Name2-(iodomethyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(CI)[nH]c2ccccc12
InChIInChI=1S/C10H7IN2/c11-5-10-8(6-12)7-3-1-2-4-9(7)13-10/h1-4,13H,5H2
InChIKeyPQNBNMMPIPAFQZ-UHFFFAOYSA-N
XLogP2.97
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(iodomethyl)-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-formyl-1H-indole-3-carbonitrile
CID 59277563
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
3-iodo-1H-indole-2-carbonitrile
CID 11043753
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
CID 141210513
2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
CID 93189767
2-propoxy-1H-indole-3-carbonitrile
CID 142777137
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
CID 115146441
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2,3-diethyl-1H-indole;hydrate
CID 70606554
2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1H-indole-3-carbonitrile?
The IUPAC name of 2-(iodomethyl)-1H-indole-3-carbonitrile (CID 54202927) is 2-(iodomethyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(iodomethyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(iodomethyl)-1H-indole-3-carbonitrile is N#Cc1c(CI)[nH]c2ccccc12.
What is the InChIKey of 2-(iodomethyl)-1H-indole-3-carbonitrile?
The InChIKey is PQNBNMMPIPAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2/c11-5-10-8(6-12)7-3-1-2-4-9(7)13-10/h1-4,13H,5H2.
What are the key properties of 2-(iodomethyl)-1H-indole-3-carbonitrile?
2-(iodomethyl)-1H-indole-3-carbonitrile has a molecular weight of 282.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 54202927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).