4,5-ditert-butyl-2-chloropyridine

C13H20ClN — CID 155787493

IUPAC4,5-ditert-butyl-2-chloropyridine
SMILESCC(C)(C)c1cnc(Cl)cc1C(C)(C)C
InChIInChI=1S/C13H20ClN/c1-12(2,3)9-7-11(14)15-8-10(9)13(4,5)6/h7-8H,1-6H3
InChIKeyVMRKOXPDBYBWHH-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.33
Rot. Bonds

About 4,5-ditert-butyl-2-chloropyridine

4,5-ditert-butyl-2-chloropyridine (PubChem CID 155787493) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-chloropyridine.

Molecular Properties

Compound Name4,5-ditert-butyl-2-chloropyridine
PubChem CID155787493
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name4,5-ditert-butyl-2-chloropyridine
SMILESCC(C)(C)c1cnc(Cl)cc1C(C)(C)C
InChIInChI=1S/C13H20ClN/c1-12(2,3)9-7-11(14)15-8-10(9)13(4,5)6/h7-8H,1-6H3
InChIKeyVMRKOXPDBYBWHH-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,5-dichloro-4-(trifluoromethyl)pyridine
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4-tert-butyl-5-chloro-2-fluoropyridine
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carbon dioxide;2-chloro-5-methyl-4-(trifluoromethyl)pyridine
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4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine
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5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
2-chloro-4,5-dimethylpyridine;ethane
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5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine
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5-tert-butyl-2-methylpyridin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-chloropyridine?
The IUPAC name of 4,5-ditert-butyl-2-chloropyridine (CID 155787493) is 4,5-ditert-butyl-2-chloropyridine.
What is the SMILES notation for 4,5-ditert-butyl-2-chloropyridine?
The canonical SMILES for 4,5-ditert-butyl-2-chloropyridine is CC(C)(C)c1cnc(Cl)cc1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-2-chloropyridine?
The InChIKey is VMRKOXPDBYBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-12(2,3)9-7-11(14)15-8-10(9)13(4,5)6/h7-8H,1-6H3.
What are the key properties of 4,5-ditert-butyl-2-chloropyridine?
4,5-ditert-butyl-2-chloropyridine has a molecular weight of 225.76 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-chloropyridine is sourced from PubChem (CID 155787493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).