2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile

C12H10Cl2N2O — CID 82268749

IUPAC2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
SMILESCOCCn1c(Cl)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C12H10Cl2N2O/c1-17-5-4-16-11-3-2-8(13)6-9(11)10(7-15)12(16)14/h2-3,6H,4-5H2,1H3
InChIKeyXEWCZTNGTIZCEM-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.47
Rot. Bonds3

About 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile

2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile (PubChem CID 82268749) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
PubChem CID82268749
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
SMILESCOCCn1c(Cl)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C12H10Cl2N2O/c1-17-5-4-16-11-3-2-8(13)6-9(11)10(7-15)12(16)14/h2-3,6H,4-5H2,1H3
InChIKeyXEWCZTNGTIZCEM-UHFFFAOYSA-N
XLogP3.47
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111
2-chloro-5-ethyl-1-propylindole-3-carbonitrile
CID 82268545
2-chloro-5-methoxy-1-methylindole-3-carbonitrile
CID 82268864
2-[5-chloro-2-(2-methoxyethyl)-3-methylsulfonylindol-1-yl]acetonitrile
CID 22573973
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
2-chloro-5-fluoro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82268802
5-chloro-1-(dimethylamino)-2-methylindole-3-carbonitrile
CID 53388749
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
4-amino-5-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100767755
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-cyanobenzamide
CID 3271136
dimethyl 2-(5-chloro-3-cyano-1-hydroxyindol-2-yl)propanedioate
CID 11131108
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile?
The IUPAC name of 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile (CID 82268749) is 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile.
What is the SMILES notation for 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile?
The canonical SMILES for 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile is COCCn1c(Cl)c(C#N)c2cc(Cl)ccc21.
What is the InChIKey of 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile?
The InChIKey is XEWCZTNGTIZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-17-5-4-16-11-3-2-8(13)6-9(11)10(7-15)12(16)14/h2-3,6H,4-5H2,1H3.
What are the key properties of 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile?
2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile has a molecular weight of 269.13 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile is sourced from PubChem (CID 82268749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).