3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine

C15H15Cl2NO2 — CID 115985113

IUPAC3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(C(Cl)Cc2ccncc2Cl)cc1OC
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-4-3-10(8-15(14)20-2)12(16)7-11-5-6-18-9-13(11)17/h3-6,8-9,12H,7H2,1-2H3
InChIKeyQGHUPEIZCKTURE-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.27
Rot. Bonds5

About 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine

3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine (PubChem CID 115985113) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
PubChem CID115985113
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(C(Cl)Cc2ccncc2Cl)cc1OC
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-4-3-10(8-15(14)20-2)12(16)7-11-5-6-18-9-13(11)17/h3-6,8-9,12H,7H2,1-2H3
InChIKeyQGHUPEIZCKTURE-UHFFFAOYSA-N
XLogP4.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
CID 97221871
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine?
The IUPAC name of 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine (CID 115985113) is 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine is COc1ccc(C(Cl)Cc2ccncc2Cl)cc1OC.
What is the InChIKey of 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine?
The InChIKey is QGHUPEIZCKTURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-14-4-3-10(8-15(14)20-2)12(16)7-11-5-6-18-9-13(11)17/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine?
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine has a molecular weight of 312.20 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 115985113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).