2-chloro-5-methoxy-1-methylindole-3-carbonitrile

C11H9ClN2O — CID 82268864

IUPAC2-chloro-5-methoxy-1-methylindole-3-carbonitrile
SMILESCOc1ccc2c(c1)c(C#N)c(Cl)n2C
InChIInChI=1S/C11H9ClN2O/c1-14-10-4-3-7(15-2)5-8(10)9(6-13)11(14)12/h3-5H,1-2H3
InChIKeySHYWDYRTQPSALF-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.71
Rot. Bonds1

About 2-chloro-5-methoxy-1-methylindole-3-carbonitrile

2-chloro-5-methoxy-1-methylindole-3-carbonitrile (PubChem CID 82268864) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-methoxy-1-methylindole-3-carbonitrile
PubChem CID82268864
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-5-methoxy-1-methylindole-3-carbonitrile
SMILESCOc1ccc2c(c1)c(C#N)c(Cl)n2C
InChIInChI=1S/C11H9ClN2O/c1-14-10-4-3-7(15-2)5-8(10)9(6-13)11(14)12/h3-5H,1-2H3
InChIKeySHYWDYRTQPSALF-UHFFFAOYSA-N
XLogP2.71
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
1-hydroxy-5-methoxy-2-prop-1-en-2-ylindole-3-carbonitrile
CID 134938394
2-amino-5-(4-hydroxy-3,5-dimethoxyphenoxy)-1-methylindole-3-carbonitrile
CID 22180689
2-[4-(azetidine-1-carbonyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile
CID 143185147
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
CID 82268749
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-chloro-6-methoxyisoquinoline-4-carbonitrile
CID 131699946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-1-methylindole-3-carbonitrile?
The IUPAC name of 2-chloro-5-methoxy-1-methylindole-3-carbonitrile (CID 82268864) is 2-chloro-5-methoxy-1-methylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-methoxy-1-methylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-5-methoxy-1-methylindole-3-carbonitrile is COc1ccc2c(c1)c(C#N)c(Cl)n2C.
What is the InChIKey of 2-chloro-5-methoxy-1-methylindole-3-carbonitrile?
The InChIKey is SHYWDYRTQPSALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-14-10-4-3-7(15-2)5-8(10)9(6-13)11(14)12/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-methoxy-1-methylindole-3-carbonitrile?
2-chloro-5-methoxy-1-methylindole-3-carbonitrile has a molecular weight of 220.66 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-1-methylindole-3-carbonitrile is sourced from PubChem (CID 82268864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).