2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile

C14H15ClN2O — CID 82269111

IUPAC2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
SMILESCOCCn1c(Cl)c(C#N)c2cc(C)c(C)cc21
InChIInChI=1S/C14H15ClN2O/c1-9-6-11-12(8-16)14(15)17(4-5-18-3)13(11)7-10(9)2/h6-7H,4-5H2,1-3H3
InChIKeyHFULRXQTUVSFAC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile

2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile (PubChem CID 82269111) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
PubChem CID82269111
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
SMILESCOCCn1c(Cl)c(C#N)c2cc(C)c(C)cc21
InChIInChI=1S/C14H15ClN2O/c1-9-6-11-12(8-16)14(15)17(4-5-18-3)13(11)7-10(9)2/h6-7H,4-5H2,1-3H3
InChIKeyHFULRXQTUVSFAC-UHFFFAOYSA-N
XLogP3.43
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
CID 82268749
[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
CID 82269110
6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
CID 112540975
2-chloro-5-ethyl-1-propylindole-3-carbonitrile
CID 82268545
2-chloro-5-methoxy-1-methylindole-3-carbonitrile
CID 82268864
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117039
2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
CID 82269167
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82525680
2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652
2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
CID 82268977
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951786
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile?
The IUPAC name of 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile (CID 82269111) is 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile is COCCn1c(Cl)c(C#N)c2cc(C)c(C)cc21.
What is the InChIKey of 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile?
The InChIKey is HFULRXQTUVSFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-6-11-12(8-16)14(15)17(4-5-18-3)13(11)7-10(9)2/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile?
2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile has a molecular weight of 262.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile is sourced from PubChem (CID 82269111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).