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

C9H6BrF6NO2 — CID 134665360

IUPAC4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1ncc(C(F)(F)F)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c1-18-7-6(19-9(14,15)16)4(2-10)5(3-17-7)8(11,12)13/h3H,2H2,1H3
InChIKeyDGYGGVBLEMHGAJ-UHFFFAOYSA-N
MW354.04 g/mol
LogP3.90
Rot. Bonds3

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

4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 134665360) has the molecular formula C9H6BrF6NO2 and a molecular weight of 354.04 g/mol. Its IUPAC name is 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
PubChem CID134665360
Molecular FormulaC9H6BrF6NO2
Molecular Weight354.04 g/mol
Exact Mass352.95
IUPAC Name4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1ncc(C(F)(F)F)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c1-18-7-6(19-9(14,15)16)4(2-10)5(3-17-7)8(11,12)13/h3H,2H2,1H3
InChIKeyDGYGGVBLEMHGAJ-UHFFFAOYSA-N
XLogP3.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 53.90
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)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
2-[5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134672104
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113341
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
methyl 2-(bromomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134659469
[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (CID 134665360) is 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is COc1ncc(C(F)(F)F)c(CBr)c1OC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is DGYGGVBLEMHGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF6NO2/c1-18-7-6(19-9(14,15)16)4(2-10)5(3-17-7)8(11,12)13/h3H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 354.04 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134665360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).