6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

C8H3BrF7NO — CID 134680938

IUPAC6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFc1nc(CBr)cc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H3BrF7NO/c9-2-3-1-4(18-8(14,15)16)5(6(10)17-3)7(11,12)13/h1H,2H2
InChIKeyOVWJTXZKLWERRB-UHFFFAOYSA-N
MW342.01 g/mol
LogP4.03
Rot. Bonds2

About 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134680938) has the molecular formula C8H3BrF7NO and a molecular weight of 342.01 g/mol. Its IUPAC name is 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134680938
Molecular FormulaC8H3BrF7NO
Molecular Weight342.01 g/mol
Exact Mass340.93
IUPAC Name6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFc1nc(CBr)cc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H3BrF7NO/c9-2-3-1-4(18-8(14,15)16)5(6(10)17-3)7(11,12)13/h1H,2H2
InChIKeyOVWJTXZKLWERRB-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.01
LogP ≤ 54.03
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

6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130110872
6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
CID 134658939
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
methyl 6-(bromomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134661616
3-fluoro-6-(fluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680375
ethyl 6-(bromomethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675576
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667272
6-methyl-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 171656686

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134680938) is 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is Fc1nc(CBr)cc(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is OVWJTXZKLWERRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF7NO/c9-2-3-1-4(18-8(14,15)16)5(6(10)17-3)7(11,12)13/h1H,2H2.
What are the key properties of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 342.01 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134680938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).