4-tert-butyl-2,6-bis(chloromethyl)pyridine

C11H15Cl2N — CID 176736672

IUPAC4-tert-butyl-2,6-bis(chloromethyl)pyridine
SMILESCC(C)(C)c1cc(CCl)nc(CCl)c1
InChIInChI=1S/C11H15Cl2N/c1-11(2,3)8-4-9(6-12)14-10(5-8)7-13/h4-5H,6-7H2,1-3H3
InChIKeyYFYGSFHSUJDPPP-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.86
Rot. Bonds2

About 4-tert-butyl-2,6-bis(chloromethyl)pyridine

4-tert-butyl-2,6-bis(chloromethyl)pyridine (PubChem CID 176736672) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(chloromethyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(chloromethyl)pyridine
PubChem CID176736672
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name4-tert-butyl-2,6-bis(chloromethyl)pyridine
SMILESCC(C)(C)c1cc(CCl)nc(CCl)c1
InChIInChI=1S/C11H15Cl2N/c1-11(2,3)8-4-9(6-12)14-10(5-8)7-13/h4-5H,6-7H2,1-3H3
InChIKeyYFYGSFHSUJDPPP-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(chloromethyl)pyridine?
The IUPAC name of 4-tert-butyl-2,6-bis(chloromethyl)pyridine (CID 176736672) is 4-tert-butyl-2,6-bis(chloromethyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2,6-bis(chloromethyl)pyridine?
The canonical SMILES for 4-tert-butyl-2,6-bis(chloromethyl)pyridine is CC(C)(C)c1cc(CCl)nc(CCl)c1.
What is the InChIKey of 4-tert-butyl-2,6-bis(chloromethyl)pyridine?
The InChIKey is YFYGSFHSUJDPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-11(2,3)8-4-9(6-12)14-10(5-8)7-13/h4-5H,6-7H2,1-3H3.
What are the key properties of 4-tert-butyl-2,6-bis(chloromethyl)pyridine?
4-tert-butyl-2,6-bis(chloromethyl)pyridine has a molecular weight of 232.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis(chloromethyl)pyridine is sourced from PubChem (CID 176736672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).