4-bromo-2-tert-butyl-6-cyclopropylpyridine

C12H16BrN — CID 166041209

IUPAC4-bromo-2-tert-butyl-6-cyclopropylpyridine
SMILESCC(C)(C)c1cc(Br)cc(C2CC2)n1
InChIInChI=1S/C12H16BrN/c1-12(2,3)11-7-9(13)6-10(14-11)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyIHGMUNLOEUCACI-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.02
Rot. Bonds1

About 4-bromo-2-tert-butyl-6-cyclopropylpyridine

4-bromo-2-tert-butyl-6-cyclopropylpyridine (PubChem CID 166041209) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-cyclopropylpyridine.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-cyclopropylpyridine
PubChem CID166041209
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-2-tert-butyl-6-cyclopropylpyridine
SMILESCC(C)(C)c1cc(Br)cc(C2CC2)n1
InChIInChI=1S/C12H16BrN/c1-12(2,3)11-7-9(13)6-10(14-11)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyIHGMUNLOEUCACI-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.02
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-6-cyclopropylpyridine?
The IUPAC name of 4-bromo-2-tert-butyl-6-cyclopropylpyridine (CID 166041209) is 4-bromo-2-tert-butyl-6-cyclopropylpyridine.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-cyclopropylpyridine?
The canonical SMILES for 4-bromo-2-tert-butyl-6-cyclopropylpyridine is CC(C)(C)c1cc(Br)cc(C2CC2)n1.
What is the InChIKey of 4-bromo-2-tert-butyl-6-cyclopropylpyridine?
The InChIKey is IHGMUNLOEUCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-12(2,3)11-7-9(13)6-10(14-11)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2-tert-butyl-6-cyclopropylpyridine?
4-bromo-2-tert-butyl-6-cyclopropylpyridine has a molecular weight of 254.17 g/mol, XLogP of 4.02, 1 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-6-cyclopropylpyridine is sourced from PubChem (CID 166041209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).