2-bromo-6-(difluoromethyl)pyridine

C6H4BrF2N — CID 10104489

IUPAC2-bromo-6-(difluoromethyl)pyridine
SMILESFC(F)c1cccc(Br)n1
InChIInChI=1S/C6H4BrF2N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKeyZTBGDNNRDRISQZ-UHFFFAOYSA-N
MW208.01 g/mol
LogP2.78
Rot. Bonds1

About 2-bromo-6-(difluoromethyl)pyridine

2-bromo-6-(difluoromethyl)pyridine (PubChem CID 10104489) has the molecular formula C6H4BrF2N and a molecular weight of 208.01 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)pyridine
PubChem CID10104489
Molecular FormulaC6H4BrF2N
Molecular Weight208.01 g/mol
Exact Mass206.95
IUPAC Name2-bromo-6-(difluoromethyl)pyridine
SMILESFC(F)c1cccc(Br)n1
InChIInChI=1S/C6H4BrF2N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKeyZTBGDNNRDRISQZ-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.01
LogP ≤ 52.78
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-(difluoromethyl)pyridine?
The IUPAC name of 2-bromo-6-(difluoromethyl)pyridine (CID 10104489) is 2-bromo-6-(difluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)pyridine?
The canonical SMILES for 2-bromo-6-(difluoromethyl)pyridine is FC(F)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(difluoromethyl)pyridine?
The InChIKey is ZTBGDNNRDRISQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H.
What are the key properties of 2-bromo-6-(difluoromethyl)pyridine?
2-bromo-6-(difluoromethyl)pyridine has a molecular weight of 208.01 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)pyridine is sourced from PubChem (CID 10104489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).