3-(2-iodobenzoyl)-1H-indole-6-carbonitrile

C16H9IN2O — CID 107916768

IUPAC3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3ccccc3I)c[nH]c2c1
InChIInChI=1S/C16H9IN2O/c17-14-4-2-1-3-12(14)16(20)13-9-19-15-7-10(8-18)5-6-11(13)15/h1-7,9,19H
InChIKeyMLZIFHZKLYULRI-UHFFFAOYSA-N
MW372.17 g/mol
LogP3.88
Rot. Bonds2

About 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile

3-(2-iodobenzoyl)-1H-indole-6-carbonitrile (PubChem CID 107916768) has the molecular formula C16H9IN2O and a molecular weight of 372.17 g/mol. Its IUPAC name is 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
PubChem CID107916768
Molecular FormulaC16H9IN2O
Molecular Weight372.17 g/mol
Exact Mass371.98
IUPAC Name3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3ccccc3I)c[nH]c2c1
InChIInChI=1S/C16H9IN2O/c17-14-4-2-1-3-12(14)16(20)13-9-19-15-7-10(8-18)5-6-11(13)15/h1-7,9,19H
InChIKeyMLZIFHZKLYULRI-UHFFFAOYSA-N
XLogP3.88
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107916761
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107917681
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916704
3-(3-iodobenzoyl)-1H-indole-5-carbonitrile
CID 107919842

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile (CID 107916768) is 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile is N#Cc1ccc2c(C(=O)c3ccccc3I)c[nH]c2c1.
What is the InChIKey of 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile?
The InChIKey is MLZIFHZKLYULRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IN2O/c17-14-4-2-1-3-12(14)16(20)13-9-19-15-7-10(8-18)5-6-11(13)15/h1-7,9,19H.
What are the key properties of 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile?
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile has a molecular weight of 372.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodobenzoyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).