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

C9H9BrF3NO2 — CID 130113341

IUPAC3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
SMILESCOc1cnc(C)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H9BrF3NO2/c1-5-6(3-10)8(16-9(11,12)13)7(15-2)4-14-5/h4H,3H2,1-2H3
InChIKeyGCMREMATNKARQD-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.19
Rot. Bonds3

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

3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130113341) has the molecular formula C9H9BrF3NO2 and a molecular weight of 300.07 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130113341
Molecular FormulaC9H9BrF3NO2
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC Name3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
SMILESCOc1cnc(C)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H9BrF3NO2/c1-5-6(3-10)8(16-9(11,12)13)7(15-2)4-14-5/h4H,3H2,1-2H3
InChIKeyGCMREMATNKARQD-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.19
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

3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335
3-(chloromethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113393
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
ethyl 2-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663020
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744
methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665380
3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681720

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine (CID 130113341) is 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine is COc1cnc(C)c(CBr)c1OC(F)(F)F.
What is the InChIKey of 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is GCMREMATNKARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2/c1-5-6(3-10)8(16-9(11,12)13)7(15-2)4-14-5/h4H,3H2,1-2H3.
What are the key properties of 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine?
3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 300.07 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130113341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).