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

C9H6BrF6NO2 — CID 134660474

IUPAC5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1c(CBr)cnc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c1-18-5-4(2-10)3-17-7(8(11,12)13)6(5)19-9(14,15)16/h3H,2H2,1H3
InChIKeyFKHKPMMHLPIGQF-UHFFFAOYSA-N
MW354.04 g/mol
LogP3.90
Rot. Bonds3

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

5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134660474) has the molecular formula C9H6BrF6NO2 and a molecular weight of 354.04 g/mol. Its IUPAC name is 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134660474
Molecular FormulaC9H6BrF6NO2
Molecular Weight354.04 g/mol
Exact Mass352.95
IUPAC Name5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1c(CBr)cnc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6BrF6NO2/c1-18-5-4(2-10)3-17-7(8(11,12)13)6(5)19-9(14,15)16/h3H,2H2,1H3
InChIKeyFKHKPMMHLPIGQF-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

5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679107
2-[5-(bromomethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134663717
2-[6-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682332
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134660474) is 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is COc1c(CBr)cnc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is FKHKPMMHLPIGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF6NO2/c1-18-5-4(2-10)3-17-7(8(11,12)13)6(5)19-9(14,15)16/h3H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(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 5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134660474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).