(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile

C16H14N2O — CID 155123442

IUPAC(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccc(CCO)c1)c1ccccn1
InChIInChI=1S/C16H14N2O/c17-12-15(16-6-1-2-8-18-16)11-14-5-3-4-13(10-14)7-9-19/h1-6,8,10-11,19H,7,9H2/b15-11-
InChIKeySHFBUXAHKUGDDY-PTNGSMBKSA-N
MW250.30 g/mol
LogP2.68
Rot. Bonds4

About (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile

(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 155123442) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile
PubChem CID155123442
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/c1cccc(CCO)c1)c1ccccn1
InChIInChI=1S/C16H14N2O/c17-12-15(16-6-1-2-8-18-16)11-14-5-3-4-13(10-14)7-9-19/h1-6,8,10-11,19H,7,9H2/b15-11-
InChIKeySHFBUXAHKUGDDY-PTNGSMBKSA-N
XLogP2.68
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.68
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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Related Compounds

(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 18532722
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
(E)-3-(3-propan-2-yloxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 47448589
[(1R)-1-[3-[3-(2-cyano-2-pyridin-2-ylethenyl)phenyl]propanoylamino]-2-(4-methylphenyl)ethyl]boronic acid
CID 175503907
[(1R)-1-[2-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl]ethoxycarbonylamino]-2-(4-methylphenyl)ethyl]boronic acid
CID 174135820
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 6109259
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
CID 2826034
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 7480568
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile (CID 155123442) is (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C/c1cccc(CCO)c1)c1ccccn1.
What is the InChIKey of (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is SHFBUXAHKUGDDY-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H14N2O/c17-12-15(16-6-1-2-8-18-16)11-14-5-3-4-13(10-14)7-9-19/h1-6,8,10-11,19H,7,9H2/b15-11-.
What are the key properties of (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 250.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 155123442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).