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

C14H10N2O — CID 118986804

IUPAC(E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C14H10N2O/c15-9-13(8-11-2-1-7-16-10-11)12-3-5-14(17)6-4-12/h1-8,10,17H/b13-8-
InChIKeyAVRYCWINEYBHNX-JYRVWZFOSA-N
MW222.25 g/mol
LogP2.85
Rot. Bonds2

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

(E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 118986804) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile
PubChem CID118986804
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name(E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C14H10N2O/c15-9-13(8-11-2-1-7-16-10-11)12-3-5-14(17)6-4-12/h1-8,10,17H/b13-8-
InChIKeyAVRYCWINEYBHNX-JYRVWZFOSA-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 (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile (CID 118986804) is (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile is N#C/C(=C/c1cccnc1)c1ccc(O)cc1.
What is the InChIKey of (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is AVRYCWINEYBHNX-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H10N2O/c15-9-13(8-11-2-1-7-16-10-11)12-3-5-14(17)6-4-12/h1-8,10,17H/b13-8-.
What are the key properties of (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile?
(E)-2-(4-hydroxyphenyl)-3-pyridin-3-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 (E)-2-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 118986804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).