9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile

C17H11N3O — CID 77105816

IUPAC9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21
InChIInChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
InChIKeyUVJQEKJPAVSBTA-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.75
Rot. Bonds1

About 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile

9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile (PubChem CID 77105816) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile.

Molecular Properties

Compound Name9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
PubChem CID77105816
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21
InChIInChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
InChIKeyUVJQEKJPAVSBTA-UHFFFAOYSA-N
XLogP3.75
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
The IUPAC name of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile (CID 77105816) is 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile.
What is the SMILES notation for 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
The canonical SMILES for 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile is COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21.
What is the InChIKey of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
The InChIKey is UVJQEKJPAVSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3.
What are the key properties of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile is sourced from PubChem (CID 77105816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).