4-bromo-3-tert-butyl-5-fluoropyridine

C9H11BrFN — CID 146377302

IUPAC4-bromo-3-tert-butyl-5-fluoropyridine
SMILESCC(C)(C)c1cncc(F)c1Br
InChIInChI=1S/C9H11BrFN/c1-9(2,3)6-4-12-5-7(11)8(6)10/h4-5H,1-3H3
InChIKeyULQPYXKIAYRYGH-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.28
Rot. Bonds

About 4-bromo-3-tert-butyl-5-fluoropyridine

4-bromo-3-tert-butyl-5-fluoropyridine (PubChem CID 146377302) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 4-bromo-3-tert-butyl-5-fluoropyridine.

Molecular Properties

Compound Name4-bromo-3-tert-butyl-5-fluoropyridine
PubChem CID146377302
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name4-bromo-3-tert-butyl-5-fluoropyridine
SMILESCC(C)(C)c1cncc(F)c1Br
InChIInChI=1S/C9H11BrFN/c1-9(2,3)6-4-12-5-7(11)8(6)10/h4-5H,1-3H3
InChIKeyULQPYXKIAYRYGH-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-tert-butyl-5-fluoropyridine?
The IUPAC name of 4-bromo-3-tert-butyl-5-fluoropyridine (CID 146377302) is 4-bromo-3-tert-butyl-5-fluoropyridine.
What is the SMILES notation for 4-bromo-3-tert-butyl-5-fluoropyridine?
The canonical SMILES for 4-bromo-3-tert-butyl-5-fluoropyridine is CC(C)(C)c1cncc(F)c1Br.
What is the InChIKey of 4-bromo-3-tert-butyl-5-fluoropyridine?
The InChIKey is ULQPYXKIAYRYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-9(2,3)6-4-12-5-7(11)8(6)10/h4-5H,1-3H3.
What are the key properties of 4-bromo-3-tert-butyl-5-fluoropyridine?
4-bromo-3-tert-butyl-5-fluoropyridine has a molecular weight of 232.10 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-tert-butyl-5-fluoropyridine is sourced from PubChem (CID 146377302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).