2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile

C9H8N2O — CID 11446496

IUPAC2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile
SMILESC=C(C#N)C(O)c1ccccn1
InChIInChI=1S/C9H8N2O/c1-7(6-10)9(12)8-4-2-3-5-11-8/h2-5,9,12H,1H2
InChIKeyYRKFAVUBNBGXGF-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.19
Rot. Bonds2

About 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile

2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile (PubChem CID 11446496) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile
PubChem CID11446496
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile
SMILESC=C(C#N)C(O)c1ccccn1
InChIInChI=1S/C9H8N2O/c1-7(6-10)9(12)8-4-2-3-5-11-8/h2-5,9,12H,1H2
InChIKeyYRKFAVUBNBGXGF-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile?
The IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile (CID 11446496) is 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile.
What is the SMILES notation for 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile?
The canonical SMILES for 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile is C=C(C#N)C(O)c1ccccn1.
What is the InChIKey of 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile?
The InChIKey is YRKFAVUBNBGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7(6-10)9(12)8-4-2-3-5-11-8/h2-5,9,12H,1H2.
What are the key properties of 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile?
2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile has a molecular weight of 160.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile is sourced from PubChem (CID 11446496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).