3-butoxy-6-(chloromethyl)-2-methylpyridine

C11H16ClNO — CID 164927151

IUPAC3-butoxy-6-(chloromethyl)-2-methylpyridine
SMILESCCCCOc1ccc(CCl)nc1C
InChIInChI=1S/C11H16ClNO/c1-3-4-7-14-11-6-5-10(8-12)13-9(11)2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyUMEOAEYGXUEWDM-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.31
Rot. Bonds5

About 3-butoxy-6-(chloromethyl)-2-methylpyridine

3-butoxy-6-(chloromethyl)-2-methylpyridine (PubChem CID 164927151) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-butoxy-6-(chloromethyl)-2-methylpyridine.

Molecular Properties

Compound Name3-butoxy-6-(chloromethyl)-2-methylpyridine
PubChem CID164927151
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-butoxy-6-(chloromethyl)-2-methylpyridine
SMILESCCCCOc1ccc(CCl)nc1C
InChIInChI=1S/C11H16ClNO/c1-3-4-7-14-11-6-5-10(8-12)13-9(11)2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyUMEOAEYGXUEWDM-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-(chloromethyl)-2-methylpyridine?
The IUPAC name of 3-butoxy-6-(chloromethyl)-2-methylpyridine (CID 164927151) is 3-butoxy-6-(chloromethyl)-2-methylpyridine.
What is the SMILES notation for 3-butoxy-6-(chloromethyl)-2-methylpyridine?
The canonical SMILES for 3-butoxy-6-(chloromethyl)-2-methylpyridine is CCCCOc1ccc(CCl)nc1C.
What is the InChIKey of 3-butoxy-6-(chloromethyl)-2-methylpyridine?
The InChIKey is UMEOAEYGXUEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-4-7-14-11-6-5-10(8-12)13-9(11)2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 3-butoxy-6-(chloromethyl)-2-methylpyridine?
3-butoxy-6-(chloromethyl)-2-methylpyridine has a molecular weight of 213.71 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-(chloromethyl)-2-methylpyridine is sourced from PubChem (CID 164927151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).