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

C9H4BrF8NO — CID 134670039

IUPAC2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1c(OC(F)(F)F)cc(C(F)(F)F)nc1CBr
InChIInChI=1S/C9H4BrF8NO/c10-2-3-6(7(11)12)4(20-9(16,17)18)1-5(19-3)8(13,14)15/h1,7H,2H2
InChIKeySCVTVFVOTSMETR-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.83
Rot. Bonds3

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

2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134670039) has the molecular formula C9H4BrF8NO and a molecular weight of 374.03 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134670039
Molecular FormulaC9H4BrF8NO
Molecular Weight374.03 g/mol
Exact Mass372.93
IUPAC Name2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1c(OC(F)(F)F)cc(C(F)(F)F)nc1CBr
InChIInChI=1S/C9H4BrF8NO/c10-2-3-6(7(11)12)4(20-9(16,17)18)1-5(19-3)8(13,14)15/h1,7H,2H2
InChIKeySCVTVFVOTSMETR-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

2-[6-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682362
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134670039) is 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is FC(F)c1c(OC(F)(F)F)cc(C(F)(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is SCVTVFVOTSMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF8NO/c10-2-3-6(7(11)12)4(20-9(16,17)18)1-5(19-3)8(13,14)15/h1,7H,2H2.
What are the key properties of 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(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 2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134670039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).