4-(5-hydroxy-2-pyridinyl)but-3-enenitrile

C9H8N2O — CID 170799167

IUPAC4-(5-hydroxy-2-pyridinyl)but-3-enenitrile
SMILESN#CCC=Cc1ccc(O)cn1
InChIInChI=1S/C9H8N2O/c10-6-2-1-3-8-4-5-9(12)7-11-8/h1,3-5,7,12H,2H2
InChIKeyKBUAWMCIJFVKFK-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.71
Rot. Bonds2

About 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile

4-(5-hydroxy-2-pyridinyl)but-3-enenitrile (PubChem CID 170799167) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(5-hydroxy-2-pyridinyl)but-3-enenitrile
PubChem CID170799167
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-(5-hydroxy-2-pyridinyl)but-3-enenitrile
SMILESN#CCC=Cc1ccc(O)cn1
InChIInChI=1S/C9H8N2O/c10-6-2-1-3-8-4-5-9(12)7-11-8/h1,3-5,7,12H,2H2
InChIKeyKBUAWMCIJFVKFK-UHFFFAOYSA-N
XLogP1.71
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile?
The IUPAC name of 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile (CID 170799167) is 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile.
What is the SMILES notation for 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile?
The canonical SMILES for 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile is N#CCC=Cc1ccc(O)cn1.
What is the InChIKey of 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile?
The InChIKey is KBUAWMCIJFVKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-6-2-1-3-8-4-5-9(12)7-11-8/h1,3-5,7,12H,2H2.
What are the key properties of 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile?
4-(5-hydroxy-2-pyridinyl)but-3-enenitrile has a molecular weight of 160.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-pyridinyl)but-3-enenitrile is sourced from PubChem (CID 170799167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).