2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile

C14H8N4 — CID 135080221

IUPAC2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile
SMILESN#CC(C#N)c1ccc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C14H8N4/c15-7-9(8-16)12-6-5-11-10-3-1-2-4-13(10)18-14(11)17-12/h1-6,9H,(H,17,18)
InChIKeyCKNHIPJHVDCCMX-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.85
Rot. Bonds1

About 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile

2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile (PubChem CID 135080221) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile
PubChem CID135080221
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile
SMILESN#CC(C#N)c1ccc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C14H8N4/c15-7-9(8-16)12-6-5-11-10-3-1-2-4-13(10)18-14(11)17-12/h1-6,9H,(H,17,18)
InChIKeyCKNHIPJHVDCCMX-UHFFFAOYSA-N
XLogP2.85
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile?
The IUPAC name of 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile (CID 135080221) is 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile.
What is the SMILES notation for 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile?
The canonical SMILES for 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile is N#CC(C#N)c1ccc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile?
The InChIKey is CKNHIPJHVDCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4/c15-7-9(8-16)12-6-5-11-10-3-1-2-4-13(10)18-14(11)17-12/h1-6,9H,(H,17,18).
What are the key properties of 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile?
2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile has a molecular weight of 232.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile is sourced from PubChem (CID 135080221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).