(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile

C8H6N2O — CID 136664514

IUPAC(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/O)c1ccccn1
InChIInChI=1S/C8H6N2O/c9-5-7(6-11)8-3-1-2-4-10-8/h1-4,6,11H/b7-6-
InChIKeyDJXXYBUDHVHIPF-SREVYHEPSA-N
MW146.15 g/mol
LogP1.50
Rot. Bonds1

About (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile

(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 136664514) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
PubChem CID136664514
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/O)c1ccccn1
InChIInChI=1S/C8H6N2O/c9-5-7(6-11)8-3-1-2-4-10-8/h1-4,6,11H/b7-6-
InChIKeyDJXXYBUDHVHIPF-SREVYHEPSA-N
XLogP1.50
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile
CID 136999732
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
CID 2826034
3-(2,5-dimethylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 5217687
(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 17464363
(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 135615702
(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 38864631
(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 18532722
(E)-3-[4-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 74766491

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile (CID 136664514) is (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C/O)c1ccccn1.
What is the InChIKey of (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is DJXXYBUDHVHIPF-SREVYHEPSA-N. The full InChI is InChI=1S/C8H6N2O/c9-5-7(6-11)8-3-1-2-4-10-8/h1-4,6,11H/b7-6-.
What are the key properties of (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile?
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 146.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 136664514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).