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

C9H4BrF8NO — CID 134670040

IUPAC6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(CBr)cc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4BrF8NO/c10-2-3-1-4(20-9(16,17)18)5(8(13,14)15)6(19-3)7(11)12/h1,7H,2H2
InChIKeyKETTZKNHKGTTOF-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.83
Rot. Bonds3

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

6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134670040) has the molecular formula C9H4BrF8NO and a molecular weight of 374.03 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134670040
Molecular FormulaC9H4BrF8NO
Molecular Weight374.03 g/mol
Exact Mass372.93
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(CBr)cc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4BrF8NO/c10-2-3-1-4(20-9(16,17)18)5(8(13,14)15)6(19-3)7(11)12/h1,7H,2H2
InChIKeyKETTZKNHKGTTOF-UHFFFAOYSA-N
XLogP4.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680938
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837693
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130110872

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134670040) is 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is FC(F)c1nc(CBr)cc(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is KETTZKNHKGTTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF8NO/c10-2-3-1-4(20-9(16,17)18)5(8(13,14)15)6(19-3)7(11)12/h1,7H,2H2.
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 374.03 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134670040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).