7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile

C11H9ClN2O — CID 82494210

IUPAC7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
SMILESCOc1ccc(Cl)c2[nH]c(C)c(C#N)c12
InChIInChI=1S/C11H9ClN2O/c1-6-7(5-13)10-9(15-2)4-3-8(12)11(10)14-6/h3-4,14H,1-2H3
InChIKeyFOWLZZHUIDAOGJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.01
Rot. Bonds1

About 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile

7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile (PubChem CID 82494210) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
PubChem CID82494210
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
SMILESCOc1ccc(Cl)c2[nH]c(C)c(C#N)c12
InChIInChI=1S/C11H9ClN2O/c1-6-7(5-13)10-9(15-2)4-3-8(12)11(10)14-6/h3-4,14H,1-2H3
InChIKeyFOWLZZHUIDAOGJ-UHFFFAOYSA-N
XLogP3.01
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4-methoxy-2-methyl-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

(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82248574
3-(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)propanenitrile
CID 84633289
2-(4-chloro-7-methoxy-1H-indol-3-yl)acetonitrile
CID 84787663
8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
CID 46942114
(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
CID 83868244
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
1-chloro-4-methoxy-10H-[1]benzofuro[3,2-b]indole
CID 166048938

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile?
The IUPAC name of 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile (CID 82494210) is 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile?
The canonical SMILES for 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile is COc1ccc(Cl)c2[nH]c(C)c(C#N)c12.
What is the InChIKey of 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile?
The InChIKey is FOWLZZHUIDAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-6-7(5-13)10-9(15-2)4-3-8(12)11(10)14-6/h3-4,14H,1-2H3.
What are the key properties of 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile?
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile has a molecular weight of 220.66 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 82494210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).