(Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile

C14H9ClN2 — CID 147899977

IUPAC(Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H9ClN2/c15-13-6-7-14(17-10-13)12(9-16)8-11-4-2-1-3-5-11/h1-8,10H/b12-8+
InChIKeyIEBQDRJNBUGCBW-XYOKQWHBSA-N
MW240.69 g/mol
LogP3.80
Rot. Bonds2

About (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile

(Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile (PubChem CID 147899977) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile
PubChem CID147899977
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name(Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H9ClN2/c15-13-6-7-14(17-10-13)12(9-16)8-11-4-2-1-3-5-11/h1-8,10H/b12-8+
InChIKeyIEBQDRJNBUGCBW-XYOKQWHBSA-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'}

Analyze (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-(5-nitro-2-pyridinyl)-3-phenylprop-2-enenitrile
CID 12012670
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
4-chloro-N-[3-[(Z)-2-cyano-2-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]benzamide
CID 24662574
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
(2Z)-2-benzylidene-3-methylidenebutanedinitrile
CID 88843366
[4-(2-cyano-2-pyridin-2-ylethenyl)phenyl] 3,5-dichlorobenzoate
CID 2826008
(Z)-3-(2,6-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662540
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
(Z)-3-(2-phenylpyrimidin-5-yl)-2-quinolin-2-ylprop-2-enenitrile
CID 94469004
2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 3707219
(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
CID 6073171

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile (CID 147899977) is (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile is N#C/C(=C\c1ccccc1)c1ccc(Cl)cn1.
What is the InChIKey of (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile?
The InChIKey is IEBQDRJNBUGCBW-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-13-6-7-14(17-10-13)12(9-16)8-11-4-2-1-3-5-11/h1-8,10H/b12-8+.
What are the key properties of (Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile?
(Z)-2-(5-chloro-2-pyridinyl)-3-phenylprop-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)-2-(5-chloro-2-pyridinyl)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 147899977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).