(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile

C14H11ClN2O — CID 80523272

IUPAC(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile
SMILESCCc1ccc(/C(Cl)=C(/C#N)c2cccnc2)o1
InChIInChI=1S/C14H11ClN2O/c1-2-11-5-6-13(18-11)14(15)12(8-16)10-4-3-7-17-9-10/h3-7,9H,2H2,1H3/b14-12+
InChIKeyFVHQJVJXWHDWCG-WYMLVPIESA-N
MW258.71 g/mol
LogP3.87
Rot. Bonds3

About (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile

(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile (PubChem CID 80523272) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile
PubChem CID80523272
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile
SMILESCCc1ccc(/C(Cl)=C(/C#N)c2cccnc2)o1
InChIInChI=1S/C14H11ClN2O/c1-2-11-5-6-13(18-11)14(15)12(8-16)10-4-3-7-17-9-10/h3-7,9H,2H2,1H3/b14-12+
InChIKeyFVHQJVJXWHDWCG-WYMLVPIESA-N
XLogP3.87
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-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)-3-chloro-3-(4-ethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 80523014
(E)-3-chloro-3-(4-iodophenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 80523322
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-3-ylprop-2-enenitrile
CID 80523437
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-2-ylprop-2-enenitrile
CID 80523230
(E)-3-chloro-3-(2,5-dibromothiophen-3-yl)-2-pyridin-3-ylprop-2-enenitrile
CID 114021414
(Z)-3-chloro-3-(2,6-difluoro-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 82814758
3-chloro-3-(5-ethylfuran-2-yl)prop-2-enenitrile
CID 79095316
(Z)-3-(3-bromo-4-methoxyphenyl)-3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 80523308
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
CID 6145439
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile (CID 80523272) is (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile is CCc1ccc(/C(Cl)=C(/C#N)c2cccnc2)o1.
What is the InChIKey of (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile?
The InChIKey is FVHQJVJXWHDWCG-WYMLVPIESA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-11-5-6-13(18-11)14(15)12(8-16)10-4-3-7-17-9-10/h3-7,9H,2H2,1H3/b14-12+.
What are the key properties of (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile?
(Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile has a molecular weight of 258.71 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(5-ethylfuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 80523272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).