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

C9H7BrF5NO2 — CID 134675551

IUPAC4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1ncc(C(F)F)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H7BrF5NO2/c1-17-8-6(18-9(13,14)15)4(2-10)5(3-16-8)7(11)12/h3,7H,2H2,1H3
InChIKeyGIJRAMVTMGCQLY-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.82
Rot. Bonds4

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

4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 134675551) has the molecular formula C9H7BrF5NO2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID134675551
Molecular FormulaC9H7BrF5NO2
Molecular Weight336.05 g/mol
Exact Mass334.96
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1ncc(C(F)F)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H7BrF5NO2/c1-17-8-6(18-9(13,14)15)4(2-10)5(3-16-8)7(11)12/h3,7H,2H2,1H3
InChIKeyGIJRAMVTMGCQLY-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

4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077991
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662832
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682144
2-[5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134672104
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine (CID 134675551) is 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine is COc1ncc(C(F)F)c(CBr)c1OC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is GIJRAMVTMGCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO2/c1-17-8-6(18-9(13,14)15)4(2-10)5(3-16-8)7(11)12/h3,7H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine?
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(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 4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134675551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).