2-chloro-5-ethyl-1-propylindole-3-carbonitrile

C14H15ClN2 — CID 82268545

IUPAC2-chloro-5-ethyl-1-propylindole-3-carbonitrile
SMILESCCCn1c(Cl)c(C#N)c2cc(CC)ccc21
InChIInChI=1S/C14H15ClN2/c1-3-7-17-13-6-5-10(4-2)8-11(13)12(9-16)14(17)15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKXAIZKNYLOLHMF-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-5-ethyl-1-propylindole-3-carbonitrile

2-chloro-5-ethyl-1-propylindole-3-carbonitrile (PubChem CID 82268545) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1-propylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-ethyl-1-propylindole-3-carbonitrile
PubChem CID82268545
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-5-ethyl-1-propylindole-3-carbonitrile
SMILESCCCn1c(Cl)c(C#N)c2cc(CC)ccc21
InChIInChI=1S/C14H15ClN2/c1-3-7-17-13-6-5-10(4-2)8-11(13)12(9-16)14(17)15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKXAIZKNYLOLHMF-UHFFFAOYSA-N
XLogP4.14
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-1-(2-methoxyethyl)indole-3-carbonitrile
CID 82268749
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652
2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
CID 82268977
2,3,4,6-tetrakis(3,6-diethylcarbazol-9-yl)-5-isocyanobenzonitrile
CID 168743816
2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111
2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
2-chloro-5-methoxy-1-methylindole-3-carbonitrile
CID 82268864
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
2-chloro-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 59426450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-1-propylindole-3-carbonitrile?
The IUPAC name of 2-chloro-5-ethyl-1-propylindole-3-carbonitrile (CID 82268545) is 2-chloro-5-ethyl-1-propylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-ethyl-1-propylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-5-ethyl-1-propylindole-3-carbonitrile is CCCn1c(Cl)c(C#N)c2cc(CC)ccc21.
What is the InChIKey of 2-chloro-5-ethyl-1-propylindole-3-carbonitrile?
The InChIKey is KXAIZKNYLOLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-3-7-17-13-6-5-10(4-2)8-11(13)12(9-16)14(17)15/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-5-ethyl-1-propylindole-3-carbonitrile?
2-chloro-5-ethyl-1-propylindole-3-carbonitrile has a molecular weight of 246.74 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-1-propylindole-3-carbonitrile is sourced from PubChem (CID 82268545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).