4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile

C10H10N2O — CID 170799440

IUPAC4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile
SMILESN#CCC=Cc1ccc(CO)cn1
InChIInChI=1S/C10H10N2O/c11-6-2-1-3-10-5-4-9(8-13)7-12-10/h1,3-5,7,13H,2,8H2
InChIKeyAZUVJPOKZMRAIO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.50
Rot. Bonds3

About 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile

4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile (PubChem CID 170799440) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile
PubChem CID170799440
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile
SMILESN#CCC=Cc1ccc(CO)cn1
InChIInChI=1S/C10H10N2O/c11-6-2-1-3-10-5-4-9(8-13)7-12-10/h1,3-5,7,13H,2,8H2
InChIKeyAZUVJPOKZMRAIO-UHFFFAOYSA-N
XLogP1.50
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile?
The IUPAC name of 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile (CID 170799440) is 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile.
What is the SMILES notation for 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile?
The canonical SMILES for 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile is N#CCC=Cc1ccc(CO)cn1.
What is the InChIKey of 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile?
The InChIKey is AZUVJPOKZMRAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-2-1-3-10-5-4-9(8-13)7-12-10/h1,3-5,7,13H,2,8H2.
What are the key properties of 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile?
4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile has a molecular weight of 174.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile is sourced from PubChem (CID 170799440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).