5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine

C9H7BrF5NO2 — CID 134662895

IUPAC5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
SMILESCOc1c(CBr)cnc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7BrF5NO2/c1-17-6-4(2-10)3-16-8(5(6)7(11)12)18-9(13,14)15/h3,7H,2H2,1H3
InChIKeyWWTRCOMMLSZUJF-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.82
Rot. Bonds4

About 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine

5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine (PubChem CID 134662895) has the molecular formula C9H7BrF5NO2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
PubChem CID134662895
Molecular FormulaC9H7BrF5NO2
Molecular Weight336.05 g/mol
Exact Mass334.96
IUPAC Name5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
SMILESCOc1c(CBr)cnc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7BrF5NO2/c1-17-6-4(2-10)3-16-8(5(6)7(11)12)18-9(13,14)15/h3,7H,2H2,1H3
InChIKeyWWTRCOMMLSZUJF-UHFFFAOYSA-N
XLogP3.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940
5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134661099
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134660474
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
CID 130073771
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine (CID 134662895) is 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine is COc1c(CBr)cnc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine?
The InChIKey is WWTRCOMMLSZUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO2/c1-17-6-4(2-10)3-16-8(5(6)7(11)12)18-9(13,14)15/h3,7H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine?
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine has a molecular weight of 336.05 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134662895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).