(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile

C14H10N2O — CID 135410197

IUPAC(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C14H10N2O/c15-10-12(14-3-1-2-8-16-14)9-11-4-6-13(17)7-5-11/h1-9,17H/b12-9+
InChIKeyMYYUZGQPEYHJTC-FMIVXFBMSA-N
MW222.25 g/mol
LogP2.85
Rot. Bonds2

About (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 135410197) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID135410197
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C14H10N2O/c15-10-12(14-3-1-2-8-16-14)9-11-4-6-13(17)7-5-11/h1-9,17H/b12-9+
InChIKeyMYYUZGQPEYHJTC-FMIVXFBMSA-N
XLogP2.85
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.85
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 (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (CID 135410197) is (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1ccc(O)cc1)c1ccccn1.
What is the InChIKey of (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is MYYUZGQPEYHJTC-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H10N2O/c15-10-12(14-3-1-2-8-16-14)9-11-4-6-13(17)7-5-11/h1-9,17H/b12-9+.
What are the key properties of (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 222.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 135410197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).