2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile

C14H11ClN2O — CID 132588920

IUPAC2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile
SMILESCCOc1cnc(-c2cccc(Cl)c2)cc1C#N
InChIInChI=1S/C14H11ClN2O/c1-2-18-14-9-17-13(7-11(14)8-16)10-4-3-5-12(15)6-10/h3-7,9H,2H2,1H3
InChIKeyYGSZJASFVDMTQU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile

2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile (PubChem CID 132588920) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile
PubChem CID132588920
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile
SMILESCCOc1cnc(-c2cccc(Cl)c2)cc1C#N
InChIInChI=1S/C14H11ClN2O/c1-2-18-14-9-17-13(7-11(14)8-16)10-4-3-5-12(15)6-10/h3-7,9H,2H2,1H3
InChIKeyYGSZJASFVDMTQU-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

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Related Compounds

5-ethoxy-2-phenylpyridine-4-carbonitrile
CID 132588886
5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
CID 132589086
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile
CID 82115462
6-(3-chlorophenyl)-2-(4-chlorophenyl)-4-ethoxy-3-methylpyridine
CID 15022699
5-(3-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684041
4-chloro-2-(2-ethoxyanilino)benzonitrile
CID 63517459
2-chloro-4-(3-chlorophenyl)benzonitrile
CID 70699654
2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-phenylpyridine
CID 15022696
2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid
CID 125493551
5-chloro-2,3-diethoxybenzonitrile
CID 100585649

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile (CID 132588920) is 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile is CCOc1cnc(-c2cccc(Cl)c2)cc1C#N.
What is the InChIKey of 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile?
The InChIKey is YGSZJASFVDMTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-18-14-9-17-13(7-11(14)8-16)10-4-3-5-12(15)6-10/h3-7,9H,2H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile?
2-(3-chlorophenyl)-5-ethoxypyridine-4-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-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile is sourced from PubChem (CID 132588920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).