9H-pyrido[3,4-b]indole-7-carbonitrile

C12H7N3 — CID 22185223

IUPAC9H-pyrido[3,4-b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C12H7N3/c13-6-8-1-2-9-10-3-4-14-7-12(10)15-11(9)5-8/h1-5,7,15H
InChIKeyDGXHZCLGTXOEMW-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.59
Rot. Bonds

About 9H-pyrido[3,4-b]indole-7-carbonitrile

9H-pyrido[3,4-b]indole-7-carbonitrile (PubChem CID 22185223) has the molecular formula C12H7N3 and a molecular weight of 193.21 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indole-7-carbonitrile.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indole-7-carbonitrile
PubChem CID22185223
Molecular FormulaC12H7N3
Molecular Weight193.21 g/mol
Exact Mass193.06
IUPAC Name9H-pyrido[3,4-b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C12H7N3/c13-6-8-1-2-9-10-3-4-14-7-12(10)15-11(9)5-8/h1-5,7,15H
InChIKeyDGXHZCLGTXOEMW-UHFFFAOYSA-N
XLogP2.59
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indole-7-carbonitrile?
The IUPAC name of 9H-pyrido[3,4-b]indole-7-carbonitrile (CID 22185223) is 9H-pyrido[3,4-b]indole-7-carbonitrile.
What is the SMILES notation for 9H-pyrido[3,4-b]indole-7-carbonitrile?
The canonical SMILES for 9H-pyrido[3,4-b]indole-7-carbonitrile is N#Cc1ccc2c(c1)[nH]c1cnccc12.
What is the InChIKey of 9H-pyrido[3,4-b]indole-7-carbonitrile?
The InChIKey is DGXHZCLGTXOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3/c13-6-8-1-2-9-10-3-4-14-7-12(10)15-11(9)5-8/h1-5,7,15H.
What are the key properties of 9H-pyrido[3,4-b]indole-7-carbonitrile?
9H-pyrido[3,4-b]indole-7-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,4-b]indole-7-carbonitrile is sourced from PubChem (CID 22185223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).