2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine

C8H4BrClF5NO — CID 119006485

IUPAC2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
SMILESFC(F)c1cc(CCl)c(OC(F)(F)F)nc1Br
InChIInChI=1S/C8H4BrClF5NO/c9-5-4(6(11)12)1-3(2-10)7(16-5)17-8(13,14)15/h1,6H,2H2
InChIKeyAXZMXPMKAHQFLH-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.42
Rot. Bonds3

About 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine

2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine (PubChem CID 119006485) has the molecular formula C8H4BrClF5NO and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
PubChem CID119006485
Molecular FormulaC8H4BrClF5NO
Molecular Weight340.47 g/mol
Exact Mass338.91
IUPAC Name2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
SMILESFC(F)c1cc(CCl)c(OC(F)(F)F)nc1Br
InChIInChI=1S/C8H4BrClF5NO/c9-5-4(6(11)12)1-3(2-10)7(16-5)17-8(13,14)15/h1,6H,2H2
InChIKeyAXZMXPMKAHQFLH-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134676120
3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
CID 134659593
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134681912
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine?
The IUPAC name of 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine (CID 119006485) is 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine is FC(F)c1cc(CCl)c(OC(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine?
The InChIKey is AXZMXPMKAHQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5NO/c9-5-4(6(11)12)1-3(2-10)7(16-5)17-8(13,14)15/h1,6H,2H2.
What are the key properties of 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine?
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine has a molecular weight of 340.47 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119006485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).