6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile

C12H11N3 — CID 118224812

IUPAC6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile
SMILESN#Cc1ccnc2[nH]c3c(c12)CCCC3
InChIInChI=1S/C12H11N3/c13-7-8-5-6-14-12-11(8)9-3-1-2-4-10(9)15-12/h5-6H,1-4H2,(H,14,15)
InChIKeyCQHXOAFAJWSENJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.31
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile

6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile (PubChem CID 118224812) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile
PubChem CID118224812
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile
SMILESN#Cc1ccnc2[nH]c3c(c12)CCCC3
InChIInChI=1S/C12H11N3/c13-7-8-5-6-14-12-11(8)9-3-1-2-4-10(9)15-12/h5-6H,1-4H2,(H,14,15)
InChIKeyCQHXOAFAJWSENJ-UHFFFAOYSA-N
XLogP2.31
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile?
The IUPAC name of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile (CID 118224812) is 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile is N#Cc1ccnc2[nH]c3c(c12)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile?
The InChIKey is CQHXOAFAJWSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c13-7-8-5-6-14-12-11(8)9-3-1-2-4-10(9)15-12/h5-6H,1-4H2,(H,14,15).
What are the key properties of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile?
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile is sourced from PubChem (CID 118224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).