2-bromo-3-fluoro-5-(fluoromethyl)pyridine

C6H4BrF2N — CID 90296894

IUPAC2-bromo-3-fluoro-5-(fluoromethyl)pyridine
SMILESFCc1cnc(Br)c(F)c1
InChIInChI=1S/C6H4BrF2N/c7-6-5(9)1-4(2-8)3-10-6/h1,3H,2H2
InChIKeyBWYPZLZHDPCGMX-UHFFFAOYSA-N
MW208.00 g/mol
LogP2.45
Rot. Bonds1

About 2-bromo-3-fluoro-5-(fluoromethyl)pyridine

2-bromo-3-fluoro-5-(fluoromethyl)pyridine (PubChem CID 90296894) has the molecular formula C6H4BrF2N and a molecular weight of 208.00 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-(fluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-(fluoromethyl)pyridine
PubChem CID90296894
Molecular FormulaC6H4BrF2N
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name2-bromo-3-fluoro-5-(fluoromethyl)pyridine
SMILESFCc1cnc(Br)c(F)c1
InChIInChI=1S/C6H4BrF2N/c7-6-5(9)1-4(2-8)3-10-6/h1,3H,2H2
InChIKeyBWYPZLZHDPCGMX-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 52.45
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-3-fluoro-5-(fluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-fluoro-5-(fluoromethyl)pyridine (CID 90296894) is 2-bromo-3-fluoro-5-(fluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-fluoro-5-(fluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-fluoro-5-(fluoromethyl)pyridine is FCc1cnc(Br)c(F)c1.
What is the InChIKey of 2-bromo-3-fluoro-5-(fluoromethyl)pyridine?
The InChIKey is BWYPZLZHDPCGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N/c7-6-5(9)1-4(2-8)3-10-6/h1,3H,2H2.
What are the key properties of 2-bromo-3-fluoro-5-(fluoromethyl)pyridine?
2-bromo-3-fluoro-5-(fluoromethyl)pyridine has a molecular weight of 208.00 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-5-(fluoromethyl)pyridine is sourced from PubChem (CID 90296894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).