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

C14H9ClN2 — CID 132529295

IUPAC(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H9ClN2/c15-14-3-1-11(2-4-14)9-13(10-16)12-5-7-17-8-6-12/h1-9H/b13-9+
InChIKeyWKKZAKJQOHPEEE-UKTHLTGXSA-N
MW240.69 g/mol
LogP3.80
Rot. Bonds2

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

(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile (PubChem CID 132529295) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
PubChem CID132529295
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H9ClN2/c15-14-3-1-11(2-4-14)9-13(10-16)12-5-7-17-8-6-12/h1-9H/b13-9+
InChIKeyWKKZAKJQOHPEEE-UKTHLTGXSA-N
XLogP3.80
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 ≤ 53.80
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

2,3-dipyridin-4-ylprop-2-enenitrile
CID 3390949
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 912015
3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
CID 66746876
(Z)-3-(3,5-ditert-butylphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 22904113
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529297
(E)-2-(4-chlorophenyl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile
CID 126249436
(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 17272599
2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 4089006
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
CID 19707387
(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2201191
3-(2-fluoro-4-pyridinyl)-2-pyridin-4-ylprop-2-enenitrile
CID 140837743

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile (CID 132529295) is (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile is N#C/C(=C\c1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile?
The InChIKey is WKKZAKJQOHPEEE-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-14-3-1-11(2-4-14)9-13(10-16)12-5-7-17-8-6-12/h1-9H/b13-9+.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile?
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile has a molecular weight of 240.69 g/mol, XLogP of 3.80, 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)-2-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 132529295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).