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

C10H13BrFN — CID 153306775

IUPAC3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine
SMILESCc1ncc(C(C)(C)C)c(F)c1Br
InChIInChI=1S/C10H13BrFN/c1-6-8(11)9(12)7(5-13-6)10(2,3)4/h5H,1-4H3
InChIKeyHPHBJXKFHQENDQ-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.59
Rot. Bonds

About 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine

3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine (PubChem CID 153306775) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine
PubChem CID153306775
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine
SMILESCc1ncc(C(C)(C)C)c(F)c1Br
InChIInChI=1S/C10H13BrFN/c1-6-8(11)9(12)7(5-13-6)10(2,3)4/h5H,1-4H3
InChIKeyHPHBJXKFHQENDQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine?
The IUPAC name of 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine (CID 153306775) is 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine.
What is the SMILES notation for 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine?
The canonical SMILES for 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine is Cc1ncc(C(C)(C)C)c(F)c1Br.
What is the InChIKey of 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine?
The InChIKey is HPHBJXKFHQENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-6-8(11)9(12)7(5-13-6)10(2,3)4/h5H,1-4H3.
What are the key properties of 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine?
3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine has a molecular weight of 246.12 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine is sourced from PubChem (CID 153306775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).