2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine

C12H15BrFN — CID 147167508

IUPAC2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine
SMILESCC(C)(C)c1nc(Br)c(C2CC2)cc1F
InChIInChI=1S/C12H15BrFN/c1-12(2,3)10-9(14)6-8(7-4-5-7)11(13)15-10/h6-7H,4-5H2,1-3H3
InChIKeyBXBMVWRMNKZKCL-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.16
Rot. Bonds1

About 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine

2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine (PubChem CID 147167508) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine.

Molecular Properties

Compound Name2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine
PubChem CID147167508
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine
SMILESCC(C)(C)c1nc(Br)c(C2CC2)cc1F
InChIInChI=1S/C12H15BrFN/c1-12(2,3)10-9(14)6-8(7-4-5-7)11(13)15-10/h6-7H,4-5H2,1-3H3
InChIKeyBXBMVWRMNKZKCL-UHFFFAOYSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine?
The IUPAC name of 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine (CID 147167508) is 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine.
What is the SMILES notation for 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine?
The canonical SMILES for 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine is CC(C)(C)c1nc(Br)c(C2CC2)cc1F.
What is the InChIKey of 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine?
The InChIKey is BXBMVWRMNKZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(2,3)10-9(14)6-8(7-4-5-7)11(13)15-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine?
2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine has a molecular weight of 272.16 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butyl-3-cyclopropyl-5-fluoropyridine is sourced from PubChem (CID 147167508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).