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

C14H9ClN2 — CID 122228015

IUPAC(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C=C(/c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H9ClN2/c15-12-6-4-11(5-7-12)13(8-9-16)14-3-1-2-10-17-14/h1-8,10H/b13-8-
InChIKeyFTTYLBMXICPXKN-JYRVWZFOSA-N
MW240.69 g/mol
LogP3.69
Rot. Bonds2

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

(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile (PubChem CID 122228015) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile
PubChem CID122228015
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C=C(/c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H9ClN2/c15-12-6-4-11(5-7-12)13(8-9-16)14-3-1-2-10-17-14/h1-8,10H/b13-8-
InChIKeyFTTYLBMXICPXKN-JYRVWZFOSA-N
XLogP3.69
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
CID 86223136
2-[(Z)-1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
CID 121005257
2-[(Z)-1-(4-chlorophenyl)pent-1-enyl]pyridine
CID 121005200
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 82090012
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
CID 70976517
3-pyridin-2-ylbut-3-enenitrile
CID 14046525

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile (CID 122228015) is (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile is N#C/C=C(/c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile?
The InChIKey is FTTYLBMXICPXKN-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-12-6-4-11(5-7-12)13(8-9-16)14-3-1-2-10-17-14/h1-8,10H/b13-8-.
What are the key properties of (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile has a molecular weight of 240.69 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 122228015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).