2-chloro-7-methyl-1-propylindole-3-carbonitrile

C13H13ClN2 — CID 82268652

IUPAC2-chloro-7-methyl-1-propylindole-3-carbonitrile
SMILESCCCn1c(Cl)c(C#N)c2cccc(C)c21
InChIInChI=1S/C13H13ClN2/c1-3-7-16-12-9(2)5-4-6-10(12)11(8-15)13(16)14/h4-6H,3,7H2,1-2H3
InChIKeySOEWTCUHGVZDTK-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.88
Rot. Bonds2

About 2-chloro-7-methyl-1-propylindole-3-carbonitrile

2-chloro-7-methyl-1-propylindole-3-carbonitrile (PubChem CID 82268652) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-7-methyl-1-propylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-7-methyl-1-propylindole-3-carbonitrile
PubChem CID82268652
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-7-methyl-1-propylindole-3-carbonitrile
SMILESCCCn1c(Cl)c(C#N)c2cccc(C)c21
InChIInChI=1S/C13H13ClN2/c1-3-7-16-12-9(2)5-4-6-10(12)11(8-15)13(16)14/h4-6H,3,7H2,1-2H3
InChIKeySOEWTCUHGVZDTK-UHFFFAOYSA-N
XLogP3.88
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
CID 82268977
2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
CID 82268701
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
2-chloro-7-fluoro-1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82269302
2-chloro-5-ethyl-1-propylindole-3-carbonitrile
CID 82268545
2,4,5,6-tetrakis(1,8-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 122552306
2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
3,7-dimethyl-1-propylindole-2-carboxylic acid
CID 83969429
2-chloro-1,3,7-trimethylindole
CID 117127854
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
CID 82268674
2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-1-propylindole-3-carbonitrile?
The IUPAC name of 2-chloro-7-methyl-1-propylindole-3-carbonitrile (CID 82268652) is 2-chloro-7-methyl-1-propylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-7-methyl-1-propylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-7-methyl-1-propylindole-3-carbonitrile is CCCn1c(Cl)c(C#N)c2cccc(C)c21.
What is the InChIKey of 2-chloro-7-methyl-1-propylindole-3-carbonitrile?
The InChIKey is SOEWTCUHGVZDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-3-7-16-12-9(2)5-4-6-10(12)11(8-15)13(16)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-chloro-7-methyl-1-propylindole-3-carbonitrile?
2-chloro-7-methyl-1-propylindole-3-carbonitrile has a molecular weight of 232.71 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-1-propylindole-3-carbonitrile is sourced from PubChem (CID 82268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).