2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine

C7H4BrClF3N — CID 130071737

IUPAC2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
SMILESFc1cc(Cl)c(C(F)F)nc1CBr
InChIInChI=1S/C7H4BrClF3N/c8-2-5-4(10)1-3(9)6(13-5)7(11)12/h1,7H,2H2
InChIKeyXBEVRURWWSKAJJ-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.71
Rot. Bonds2

About 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine

2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine (PubChem CID 130071737) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
PubChem CID130071737
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
SMILESFc1cc(Cl)c(C(F)F)nc1CBr
InChIInChI=1S/C7H4BrClF3N/c8-2-5-4(10)1-3(9)6(13-5)7(11)12/h1,7H,2H2
InChIKeyXBEVRURWWSKAJJ-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.71
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

2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697
3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 130071793
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
CID 118832807
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104140
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
CID 130099754
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine (CID 130071737) is 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine is Fc1cc(Cl)c(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine?
The InChIKey is XBEVRURWWSKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-2-5-4(10)1-3(9)6(13-5)7(11)12/h1,7H,2H2.
What are the key properties of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine?
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine has a molecular weight of 274.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 130071737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).