2-chloro-1,6-dimethylindole-3-carbonitrile

C11H9ClN2 — CID 82269620

IUPAC2-chloro-1,6-dimethylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(Cl)n(C)c2c1
InChIInChI=1S/C11H9ClN2/c1-7-3-4-8-9(6-13)11(12)14(2)10(8)5-7/h3-5H,1-2H3
InChIKeyCNORVCNQMUZORU-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.01
Rot. Bonds

About 2-chloro-1,6-dimethylindole-3-carbonitrile

2-chloro-1,6-dimethylindole-3-carbonitrile (PubChem CID 82269620) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-1,6-dimethylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-1,6-dimethylindole-3-carbonitrile
PubChem CID82269620
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-chloro-1,6-dimethylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)c(Cl)n(C)c2c1
InChIInChI=1S/C11H9ClN2/c1-7-3-4-8-9(6-13)11(12)14(2)10(8)5-7/h3-5H,1-2H3
InChIKeyCNORVCNQMUZORU-UHFFFAOYSA-N
XLogP3.01
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methoxy-1-methylindole-3-carbonitrile
CID 82268864
2-amino-1,5-dimethylindole-3-carbonitrile
CID 21025755
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034
2-(bromomethyl)-1-ethyl-6-methylindole-3-carbonitrile;1-ethyl-2,6-dimethylindole-3-carbonitrile
CID 123428403
2,6-dichloro-1,3-dimethylindole
CID 117127818
6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
CID 142316299
2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
2-chloro-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 59426450
1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile
CID 58039084
1-ethyl-6-methyl-2-(4-methylsulfonylphenyl)indole-3-carbonitrile
CID 58039094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,6-dimethylindole-3-carbonitrile?
The IUPAC name of 2-chloro-1,6-dimethylindole-3-carbonitrile (CID 82269620) is 2-chloro-1,6-dimethylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-1,6-dimethylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-1,6-dimethylindole-3-carbonitrile is Cc1ccc2c(C#N)c(Cl)n(C)c2c1.
What is the InChIKey of 2-chloro-1,6-dimethylindole-3-carbonitrile?
The InChIKey is CNORVCNQMUZORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-7-3-4-8-9(6-13)11(12)14(2)10(8)5-7/h3-5H,1-2H3.
What are the key properties of 2-chloro-1,6-dimethylindole-3-carbonitrile?
2-chloro-1,6-dimethylindole-3-carbonitrile has a molecular weight of 204.66 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,6-dimethylindole-3-carbonitrile is sourced from PubChem (CID 82269620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).