2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

C14H13N3O — CID 59835487

IUPAC2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCc3cncn32)cc1O
InChIInChI=1S/C14H13N3O/c15-7-11-5-4-10(6-14(11)18)13-3-1-2-12-8-16-9-17(12)13/h4-6,8-9,13,18H,1-3H2
InChIKeyJHXXLTPYIRMOAO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.39
Rot. Bonds1

About 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 59835487) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID59835487
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCc3cncn32)cc1O
InChIInChI=1S/C14H13N3O/c15-7-11-5-4-10(6-14(11)18)13-3-1-2-12-8-16-9-17(12)13/h4-6,8-9,13,18H,1-3H2
InChIKeyJHXXLTPYIRMOAO-UHFFFAOYSA-N
XLogP2.39
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile (CID 59835487) is 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is N#Cc1ccc(C2CCCc3cncn32)cc1O.
What is the InChIKey of 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is JHXXLTPYIRMOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-7-11-5-4-10(6-14(11)18)13-3-1-2-12-8-16-9-17(12)13/h4-6,8-9,13,18H,1-3H2.
What are the key properties of 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 59835487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).