3,4-dichloro-2-(2-ethoxyethyl)pyridine

C9H11Cl2NO — CID 70252930

IUPAC3,4-dichloro-2-(2-ethoxyethyl)pyridine
SMILESCCOCCc1nccc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-2-13-6-4-8-9(11)7(10)3-5-12-8/h3,5H,2,4,6H2,1H3
InChIKeyUNKOZSLTDCQQCQ-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.97
Rot. Bonds4

About 3,4-dichloro-2-(2-ethoxyethyl)pyridine

3,4-dichloro-2-(2-ethoxyethyl)pyridine (PubChem CID 70252930) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3,4-dichloro-2-(2-ethoxyethyl)pyridine.

Molecular Properties

Compound Name3,4-dichloro-2-(2-ethoxyethyl)pyridine
PubChem CID70252930
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3,4-dichloro-2-(2-ethoxyethyl)pyridine
SMILESCCOCCc1nccc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-2-13-6-4-8-9(11)7(10)3-5-12-8/h3,5H,2,4,6H2,1H3
InChIKeyUNKOZSLTDCQQCQ-UHFFFAOYSA-N
XLogP2.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(2-ethoxyethyl)pyridine?
The IUPAC name of 3,4-dichloro-2-(2-ethoxyethyl)pyridine (CID 70252930) is 3,4-dichloro-2-(2-ethoxyethyl)pyridine.
What is the SMILES notation for 3,4-dichloro-2-(2-ethoxyethyl)pyridine?
The canonical SMILES for 3,4-dichloro-2-(2-ethoxyethyl)pyridine is CCOCCc1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-(2-ethoxyethyl)pyridine?
The InChIKey is UNKOZSLTDCQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-2-13-6-4-8-9(11)7(10)3-5-12-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 3,4-dichloro-2-(2-ethoxyethyl)pyridine?
3,4-dichloro-2-(2-ethoxyethyl)pyridine has a molecular weight of 220.10 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(2-ethoxyethyl)pyridine is sourced from PubChem (CID 70252930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).