(Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile

C14H8Cl2N2 — CID 90665861

IUPAC(Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccncc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2/c15-13-2-1-11(8-14(13)16)12(9-17)7-10-3-5-18-6-4-10/h1-8H/b12-7+
InChIKeyMQXBLXGEFSQNSR-KPKJPENVSA-N
MW275.14 g/mol
LogP4.45
Rot. Bonds2

About (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile

(Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile (PubChem CID 90665861) has the molecular formula C14H8Cl2N2 and a molecular weight of 275.14 g/mol. Its IUPAC name is (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile
PubChem CID90665861
Molecular FormulaC14H8Cl2N2
Molecular Weight275.14 g/mol
Exact Mass274.01
IUPAC Name(Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccncc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2/c15-13-2-1-11(8-14(13)16)12(9-17)7-10-3-5-18-6-4-10/h1-8H/b12-7+
InChIKeyMQXBLXGEFSQNSR-KPKJPENVSA-N
XLogP4.45
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.45
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)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile (CID 90665861) is (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile is N#C/C(=C\c1ccncc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile?
The InChIKey is MQXBLXGEFSQNSR-KPKJPENVSA-N. The full InChI is InChI=1S/C14H8Cl2N2/c15-13-2-1-11(8-14(13)16)12(9-17)7-10-3-5-18-6-4-10/h1-8H/b12-7+.
What are the key properties of (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile?
(Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile has a molecular weight of 275.14 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dichlorophenyl)-3-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 90665861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).