5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine

C7H5BrClF2N — CID 130095506

IUPAC5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncc(CBr)cc1Cl
InChIInChI=1S/C7H5BrClF2N/c8-2-4-1-5(9)6(7(10)11)12-3-4/h1,3,7H,2H2
InChIKeyUXPAFOUNTOISKT-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.57
Rot. Bonds2

About 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine

5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine (PubChem CID 130095506) has the molecular formula C7H5BrClF2N and a molecular weight of 256.48 g/mol. Its IUPAC name is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
PubChem CID130095506
Molecular FormulaC7H5BrClF2N
Molecular Weight256.48 g/mol
Exact Mass254.93
IUPAC Name5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncc(CBr)cc1Cl
InChIInChI=1S/C7H5BrClF2N/c8-2-4-1-5(9)6(7(10)11)12-3-4/h1,3,7H,2H2
InChIKeyUXPAFOUNTOISKT-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
5-(bromomethyl)-2,3-dichloropyridine;(5,6-dichloro-3-pyridinyl)methanol
CID 158882094
5-[5-chloro-6-(difluoromethyl)-3-pyridinyl]-2-(fluoromethyl)pyrimidine
CID 122534151
ethyl 5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 130098245
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
3-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075274
5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098296
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
2-(difluoromethyl)-5-(hydroxymethyl)pyridin-3-ol
CID 118820519
5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130097039
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
CID 114205871

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine (CID 130095506) is 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine is FC(F)c1ncc(CBr)cc1Cl.
What is the InChIKey of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine?
The InChIKey is UXPAFOUNTOISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2N/c8-2-4-1-5(9)6(7(10)11)12-3-4/h1,3,7H,2H2.
What are the key properties of 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine?
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine has a molecular weight of 256.48 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine is sourced from PubChem (CID 130095506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).