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

C11H16ClNO2 — CID 23380565

IUPAC2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine
SMILESCCOCCOCc1cc(C)nc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-3-14-4-5-15-8-10-6-9(2)13-11(12)7-10/h6-7H,3-5,8H2,1-2H3
InChIKeySLTJQWVZFDAPES-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.60
Rot. Bonds6

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

2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine (PubChem CID 23380565) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine
PubChem CID23380565
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine
SMILESCCOCCOCc1cc(C)nc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-3-14-4-5-15-8-10-6-9(2)13-11(12)7-10/h6-7H,3-5,8H2,1-2H3
InChIKeySLTJQWVZFDAPES-UHFFFAOYSA-N
XLogP2.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine?
The IUPAC name of 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine (CID 23380565) is 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine.
What is the SMILES notation for 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine?
The canonical SMILES for 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine is CCOCCOCc1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine?
The InChIKey is SLTJQWVZFDAPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-14-4-5-15-8-10-6-9(2)13-11(12)7-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine?
2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine has a molecular weight of 229.71 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine is sourced from PubChem (CID 23380565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).