pyrido[1,2-a]indole-8-carbonitrile

C13H8N2 — CID 91666081

IUPACpyrido[1,2-a]indole-8-carbonitrile
SMILESN#Cc1ccn2c(c1)cc1ccccc12
InChIInChI=1S/C13H8N2/c14-9-10-5-6-15-12(7-10)8-11-3-1-2-4-13(11)15/h1-8H
InChIKeyAYOFJFQSQAUXTM-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.96
Rot. Bonds

About pyrido[1,2-a]indole-8-carbonitrile

pyrido[1,2-a]indole-8-carbonitrile (PubChem CID 91666081) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is pyrido[1,2-a]indole-8-carbonitrile.

Molecular Properties

Compound Namepyrido[1,2-a]indole-8-carbonitrile
PubChem CID91666081
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Namepyrido[1,2-a]indole-8-carbonitrile
SMILESN#Cc1ccn2c(c1)cc1ccccc12
InChIInChI=1S/C13H8N2/c14-9-10-5-6-15-12(7-10)8-11-3-1-2-4-13(11)15/h1-8H
InChIKeyAYOFJFQSQAUXTM-UHFFFAOYSA-N
XLogP2.96
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyrido[1,2-a]indol-8-ylmethanol
CID 70366473
pyrazino[1,2-a]indole
CID 13143754
pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 90936676
2-methyl-1-phenylindolizine-3,7-dicarbonitrile
CID 11161205
2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
CID 57394641
1-(2-methylphenyl)indole-5-carbonitrile
CID 174335464
pyrido[1,2-a]indol-7-ol
CID 91578458
2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile
CID 121329049
2-methylindole-1-carbonitrile
CID 21484747
1-(2-methylphenyl)indole-2-carbonitrile
CID 174595640
4-[2-(1-methylindol-2-yl)ethyl]benzonitrile
CID 23296415
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278

Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-a]indole-8-carbonitrile?
The IUPAC name of pyrido[1,2-a]indole-8-carbonitrile (CID 91666081) is pyrido[1,2-a]indole-8-carbonitrile.
What is the SMILES notation for pyrido[1,2-a]indole-8-carbonitrile?
The canonical SMILES for pyrido[1,2-a]indole-8-carbonitrile is N#Cc1ccn2c(c1)cc1ccccc12.
What is the InChIKey of pyrido[1,2-a]indole-8-carbonitrile?
The InChIKey is AYOFJFQSQAUXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-9-10-5-6-15-12(7-10)8-11-3-1-2-4-13(11)15/h1-8H.
What are the key properties of pyrido[1,2-a]indole-8-carbonitrile?
pyrido[1,2-a]indole-8-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]indole-8-carbonitrile is sourced from PubChem (CID 91666081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).