3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine

C7H5BrF3NO2 — CID 130089396

IUPAC3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine
SMILESCOc1cnc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H5BrF3NO2/c1-13-4-2-5(8)6(12-3-4)14-7(9,10)11/h2-3H,1H3
InChIKeyGBKCQZCUJOSZFD-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.75
Rot. Bonds2

About 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine

3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine (PubChem CID 130089396) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine
PubChem CID130089396
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine
SMILESCOc1cnc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H5BrF3NO2/c1-13-4-2-5(8)6(12-3-4)14-7(9,10)11/h2-3H,1H3
InChIKeyGBKCQZCUJOSZFD-UHFFFAOYSA-N
XLogP2.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 130093140
3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
CID 130089434
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
3-bromo-5-methoxy-N-methylpyridin-2-amine
CID 175331682
5-bromo-3-methoxyquinoline
CID 58227851
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
methyl N-[5-bromo-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 121278921
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine (CID 130089396) is 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine is COc1cnc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine?
The InChIKey is GBKCQZCUJOSZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c1-13-4-2-5(8)6(12-3-4)14-7(9,10)11/h2-3H,1H3.
What are the key properties of 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine?
3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine has a molecular weight of 272.02 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).