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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(chloromethyl)-2-(2-methylsulfanylpropan-2-yl)pyrimidine
CID 130692064
(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
CID 83852104
[4-tert-butyl-2,6-bis(chloromethyl)phenyl]methyl-trimethylsilane
CID 10615418
4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 130115566
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
4-(chloromethyl)-2-(1-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine
CID 116731441
2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
CID 66467805
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
1-tert-butyl-3,5-bis(3-chloropropyl)benzene
CID 89314999
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4-chloro-6-methylpyrimidine
CID 43557498

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).