3-butoxy-2,6-bis(chloromethyl)pyridine

C11H15Cl2NO — CID 164927153

IUPAC3-butoxy-2,6-bis(chloromethyl)pyridine
SMILESCCCCOc1ccc(CCl)nc1CCl
InChIInChI=1S/C11H15Cl2NO/c1-2-3-6-15-11-5-4-9(7-12)14-10(11)8-13/h4-5H,2-3,6-8H2,1H3
InChIKeyQULQSGAYSOJDCI-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.74
Rot. Bonds6

About 3-butoxy-2,6-bis(chloromethyl)pyridine

3-butoxy-2,6-bis(chloromethyl)pyridine (PubChem CID 164927153) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-butoxy-2,6-bis(chloromethyl)pyridine.

Molecular Properties

Compound Name3-butoxy-2,6-bis(chloromethyl)pyridine
PubChem CID164927153
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-butoxy-2,6-bis(chloromethyl)pyridine
SMILESCCCCOc1ccc(CCl)nc1CCl
InChIInChI=1S/C11H15Cl2NO/c1-2-3-6-15-11-5-4-9(7-12)14-10(11)8-13/h4-5H,2-3,6-8H2,1H3
InChIKeyQULQSGAYSOJDCI-UHFFFAOYSA-N
XLogP3.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.74
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-2,6-bis(chloromethyl)pyridine?
The IUPAC name of 3-butoxy-2,6-bis(chloromethyl)pyridine (CID 164927153) is 3-butoxy-2,6-bis(chloromethyl)pyridine.
What is the SMILES notation for 3-butoxy-2,6-bis(chloromethyl)pyridine?
The canonical SMILES for 3-butoxy-2,6-bis(chloromethyl)pyridine is CCCCOc1ccc(CCl)nc1CCl.
What is the InChIKey of 3-butoxy-2,6-bis(chloromethyl)pyridine?
The InChIKey is QULQSGAYSOJDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-3-6-15-11-5-4-9(7-12)14-10(11)8-13/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 3-butoxy-2,6-bis(chloromethyl)pyridine?
3-butoxy-2,6-bis(chloromethyl)pyridine has a molecular weight of 248.15 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2,6-bis(chloromethyl)pyridine is sourced from PubChem (CID 164927153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).