6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile

C13H8ClN3 — CID 143469743

IUPAC6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile
SMILESCc1ncc(C#N)c2[nH]c3c(Cl)cccc3c12
InChIInChI=1S/C13H8ClN3/c1-7-11-9-3-2-4-10(14)13(9)17-12(11)8(5-15)6-16-7/h2-4,6,17H,1H3
InChIKeyOTVVLPOIIOACOG-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.55
Rot. Bonds

About 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile

6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile (PubChem CID 143469743) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile
PubChem CID143469743
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile
SMILESCc1ncc(C#N)c2[nH]c3c(Cl)cccc3c12
InChIInChI=1S/C13H8ClN3/c1-7-11-9-3-2-4-10(14)13(9)17-12(11)8(5-15)6-16-7/h2-4,6,17H,1H3
InChIKeyOTVVLPOIIOACOG-UHFFFAOYSA-N
XLogP3.55
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile?
The IUPAC name of 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile (CID 143469743) is 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile.
What is the SMILES notation for 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile?
The canonical SMILES for 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile is Cc1ncc(C#N)c2[nH]c3c(Cl)cccc3c12.
What is the InChIKey of 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile?
The InChIKey is OTVVLPOIIOACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c1-7-11-9-3-2-4-10(14)13(9)17-12(11)8(5-15)6-16-7/h2-4,6,17H,1H3.
What are the key properties of 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile?
6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile has a molecular weight of 241.68 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile is sourced from PubChem (CID 143469743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).