2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine

C9H10BrClFN — CID 79733651

IUPAC2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine
SMILESCC(Br)C(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H10BrClFN/c1-5(6(2)10)9-8(12)3-7(11)4-13-9/h3-6H,1-2H3
InChIKeyDYORJIFUELEIRQ-UHFFFAOYSA-N
MW266.54 g/mol
LogP3.76
Rot. Bonds2

About 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine

2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine (PubChem CID 79733651) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine
PubChem CID79733651
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine
SMILESCC(Br)C(C)c1ncc(Cl)cc1F
InChIInChI=1S/C9H10BrClFN/c1-5(6(2)10)9-8(12)3-7(11)4-13-9/h3-6H,1-2H3
InChIKeyDYORJIFUELEIRQ-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine?
The IUPAC name of 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine (CID 79733651) is 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine is CC(Br)C(C)c1ncc(Cl)cc1F.
What is the InChIKey of 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine?
The InChIKey is DYORJIFUELEIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN/c1-5(6(2)10)9-8(12)3-7(11)4-13-9/h3-6H,1-2H3.
What are the key properties of 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine?
2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine has a molecular weight of 266.54 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine is sourced from PubChem (CID 79733651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).