4-bromo-2-tert-butyl-5-methylpyridine

C10H14BrN — CID 162468681

IUPAC4-bromo-2-tert-butyl-5-methylpyridine
SMILESCc1cnc(C(C)(C)C)cc1Br
InChIInChI=1S/C10H14BrN/c1-7-6-12-9(5-8(7)11)10(2,3)4/h5-6H,1-4H3
InChIKeyBRLHTCRFJPCKLE-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.45
Rot. Bonds

About 4-bromo-2-tert-butyl-5-methylpyridine

4-bromo-2-tert-butyl-5-methylpyridine (PubChem CID 162468681) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-5-methylpyridine.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-5-methylpyridine
PubChem CID162468681
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-2-tert-butyl-5-methylpyridine
SMILESCc1cnc(C(C)(C)C)cc1Br
InChIInChI=1S/C10H14BrN/c1-7-6-12-9(5-8(7)11)10(2,3)4/h5-6H,1-4H3
InChIKeyBRLHTCRFJPCKLE-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-5-methylpyridine?
The IUPAC name of 4-bromo-2-tert-butyl-5-methylpyridine (CID 162468681) is 4-bromo-2-tert-butyl-5-methylpyridine.
What is the SMILES notation for 4-bromo-2-tert-butyl-5-methylpyridine?
The canonical SMILES for 4-bromo-2-tert-butyl-5-methylpyridine is Cc1cnc(C(C)(C)C)cc1Br.
What is the InChIKey of 4-bromo-2-tert-butyl-5-methylpyridine?
The InChIKey is BRLHTCRFJPCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-6-12-9(5-8(7)11)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 4-bromo-2-tert-butyl-5-methylpyridine?
4-bromo-2-tert-butyl-5-methylpyridine has a molecular weight of 228.13 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-5-methylpyridine is sourced from PubChem (CID 162468681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).