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

C13H11Cl2NO — CID 164891716

IUPAC2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
SMILESCCOc1ccc(-c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-2-17-12-4-3-9(7-11(12)14)10-5-6-16-13(15)8-10/h3-8H,2H2,1H3
InChIKeyVDAOVGVQJAGDCY-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.45
Rot. Bonds3

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

2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine (PubChem CID 164891716) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
PubChem CID164891716
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
SMILESCCOc1ccc(-c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-2-17-12-4-3-9(7-11(12)14)10-5-6-16-13(15)8-10/h3-8H,2H2,1H3
InChIKeyVDAOVGVQJAGDCY-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308
2-chloro-4-(3,4-diethoxyphenyl)aniline
CID 107607652
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
CID 122646749
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
2-(3-chloro-4-ethoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 116889928
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313
2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
CID 175424050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine?
The IUPAC name of 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine (CID 164891716) is 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine is CCOc1ccc(-c2ccnc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine?
The InChIKey is VDAOVGVQJAGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-2-17-12-4-3-9(7-11(12)14)10-5-6-16-13(15)8-10/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine?
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine is sourced from PubChem (CID 164891716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).