(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile

C15H10Cl2N2 — CID 82883472

IUPAC(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile
SMILESCc1ccc(Cl)cc1/C(Cl)=C(/C#N)c1ccncc1
InChIInChI=1S/C15H10Cl2N2/c1-10-2-3-12(16)8-13(10)15(17)14(9-18)11-4-6-19-7-5-11/h2-8H,1H3/b15-14+
InChIKeyAOFLGLAWFKXGNA-CCEZHUSRSA-N
MW289.17 g/mol
LogP4.67
Rot. Bonds2

About (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile

(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile (PubChem CID 82883472) has the molecular formula C15H10Cl2N2 and a molecular weight of 289.17 g/mol. Its IUPAC name is (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile
PubChem CID82883472
Molecular FormulaC15H10Cl2N2
Molecular Weight289.17 g/mol
Exact Mass288.02
IUPAC Name(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile
SMILESCc1ccc(Cl)cc1/C(Cl)=C(/C#N)c1ccncc1
InChIInChI=1S/C15H10Cl2N2/c1-10-2-3-12(16)8-13(10)15(17)14(9-18)11-4-6-19-7-5-11/h2-8H,1H3/b15-14+
InChIKeyAOFLGLAWFKXGNA-CCEZHUSRSA-N
XLogP4.67
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile (CID 82883472) is (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile is Cc1ccc(Cl)cc1/C(Cl)=C(/C#N)c1ccncc1.
What is the InChIKey of (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile?
The InChIKey is AOFLGLAWFKXGNA-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H10Cl2N2/c1-10-2-3-12(16)8-13(10)15(17)14(9-18)11-4-6-19-7-5-11/h2-8H,1H3/b15-14+.
What are the key properties of (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile?
(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile has a molecular weight of 289.17 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 82883472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).