5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine

C8H8BrF2N — CID 59218632

IUPAC5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine
SMILESCC(F)(F)c1ccc(CBr)cn1
InChIInChI=1S/C8H8BrF2N/c1-8(10,11)7-3-2-6(4-9)5-12-7/h2-3,5H,4H2,1H3
InChIKeySADDEUJREGOMHO-UHFFFAOYSA-N
MW236.06 g/mol
LogP3.09
Rot. Bonds2

About 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine

5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine (PubChem CID 59218632) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine
PubChem CID59218632
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine
SMILESCC(F)(F)c1ccc(CBr)cn1
InChIInChI=1S/C8H8BrF2N/c1-8(10,11)7-3-2-6(4-9)5-12-7/h2-3,5H,4H2,1H3
InChIKeySADDEUJREGOMHO-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 53.09
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 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine (CID 59218632) is 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine is CC(F)(F)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine?
The InChIKey is SADDEUJREGOMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N/c1-8(10,11)7-3-2-6(4-9)5-12-7/h2-3,5H,4H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine?
5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine has a molecular weight of 236.06 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine is sourced from PubChem (CID 59218632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).