2-chloro-4-(ethoxymethyl)-6-methylpyridine

C9H12ClNO — CID 23380566

IUPAC2-chloro-4-(ethoxymethyl)-6-methylpyridine
SMILESCCOCc1cc(C)nc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-3-12-6-8-4-7(2)11-9(10)5-8/h4-5H,3,6H2,1-2H3
InChIKeyQZDMJKMPKZPCLA-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.58
Rot. Bonds3

About 2-chloro-4-(ethoxymethyl)-6-methylpyridine

2-chloro-4-(ethoxymethyl)-6-methylpyridine (PubChem CID 23380566) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-4-(ethoxymethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(ethoxymethyl)-6-methylpyridine
PubChem CID23380566
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-4-(ethoxymethyl)-6-methylpyridine
SMILESCCOCc1cc(C)nc(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-3-12-6-8-4-7(2)11-9(10)5-8/h4-5H,3,6H2,1-2H3
InChIKeyQZDMJKMPKZPCLA-UHFFFAOYSA-N
XLogP2.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethoxymethyl)-6-methylpyridine?
The IUPAC name of 2-chloro-4-(ethoxymethyl)-6-methylpyridine (CID 23380566) is 2-chloro-4-(ethoxymethyl)-6-methylpyridine.
What is the SMILES notation for 2-chloro-4-(ethoxymethyl)-6-methylpyridine?
The canonical SMILES for 2-chloro-4-(ethoxymethyl)-6-methylpyridine is CCOCc1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethoxymethyl)-6-methylpyridine?
The InChIKey is QZDMJKMPKZPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-3-12-6-8-4-7(2)11-9(10)5-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-chloro-4-(ethoxymethyl)-6-methylpyridine?
2-chloro-4-(ethoxymethyl)-6-methylpyridine has a molecular weight of 185.65 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethoxymethyl)-6-methylpyridine is sourced from PubChem (CID 23380566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).