2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile

C14H11ClN2O — CID 72711592

IUPAC2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cnc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C14H11ClN2O/c1-2-18-13-5-3-10(4-6-13)12-7-11(8-16)14(15)17-9-12/h3-7,9H,2H2,1H3
InChIKeyZYPXNFHYQFLLER-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.67
Rot. Bonds3

About 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile

2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 72711592) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
PubChem CID72711592
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cnc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C14H11ClN2O/c1-2-18-13-5-3-10(4-6-13)12-7-11(8-16)14(15)17-9-12/h3-7,9H,2H2,1H3
InChIKeyZYPXNFHYQFLLER-UHFFFAOYSA-N
XLogP3.67
TPSA45.91 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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile 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

2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
[5-(4-ethoxyphenyl)pyrimidin-2-yl]cyanamide
CID 116975496
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile
CID 53220179
5-(4-chlorophenyl)-2-[2-(4-ethoxyphenyl)ethynyl]-3-fluoropyridine
CID 91807418
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
2-cyano-5-ethoxybenzenesulfonyl chloride
CID 71318479
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile (CID 72711592) is 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cnc(Cl)c(C#N)c2)cc1.
What is the InChIKey of 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ZYPXNFHYQFLLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-18-13-5-3-10(4-6-13)12-7-11(8-16)14(15)17-9-12/h3-7,9H,2H2,1H3.
What are the key properties of 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile?
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 72711592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).