3-hydroxypyrido[1,2-a]indole-10-carbonitrile

C13H8N2O — CID 738092

IUPAC3-hydroxypyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2ccc(O)cc2n2ccccc12
InChIInChI=1S/C13H8N2O/c14-8-11-10-5-4-9(16)7-13(10)15-6-2-1-3-12(11)15/h1-7,16H
InChIKeyOPRUTASSYAGEDI-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.67
Rot. Bonds

About 3-hydroxypyrido[1,2-a]indole-10-carbonitrile

3-hydroxypyrido[1,2-a]indole-10-carbonitrile (PubChem CID 738092) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-hydroxypyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name3-hydroxypyrido[1,2-a]indole-10-carbonitrile
PubChem CID738092
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name3-hydroxypyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2ccc(O)cc2n2ccccc12
InChIInChI=1S/C13H8N2O/c14-8-11-10-5-4-9(16)7-13(10)15-6-2-1-3-12(11)15/h1-7,16H
InChIKeyOPRUTASSYAGEDI-UHFFFAOYSA-N
XLogP2.67
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 3-hydroxypyrido[1,2-a]indole-10-carbonitrile (CID 738092) is 3-hydroxypyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 3-hydroxypyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 3-hydroxypyrido[1,2-a]indole-10-carbonitrile is N#Cc1c2ccc(O)cc2n2ccccc12.
What is the InChIKey of 3-hydroxypyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is OPRUTASSYAGEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c14-8-11-10-5-4-9(16)7-13(10)15-6-2-1-3-12(11)15/h1-7,16H.
What are the key properties of 3-hydroxypyrido[1,2-a]indole-10-carbonitrile?
3-hydroxypyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 738092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).