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

C7H4Br2F3NO — CID 130089434

IUPAC3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cnc(CBr)c(Br)c1
InChIInChI=1S/C7H4Br2F3NO/c8-2-6-5(9)1-4(3-13-6)14-7(10,11)12/h1,3H,2H2
InChIKeyWEAIXSUQHHSCPE-UHFFFAOYSA-N
MW334.92 g/mol
LogP3.64
Rot. Bonds2

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

3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine (PubChem CID 130089434) has the molecular formula C7H4Br2F3NO and a molecular weight of 334.92 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
PubChem CID130089434
Molecular FormulaC7H4Br2F3NO
Molecular Weight334.92 g/mol
Exact Mass332.86
IUPAC Name3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cnc(CBr)c(Br)c1
InChIInChI=1S/C7H4Br2F3NO/c8-2-6-5(9)1-4(3-13-6)14-7(10,11)12/h1,3H,2H2
InChIKeyWEAIXSUQHHSCPE-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118803142
3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine
CID 130089396
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
2-bromo-1-(3-bromopropoxy)-4-(trifluoromethoxy)benzene
CID 171115636
5-bromo-7-(trifluoromethoxy)quinoxaline
CID 154728189
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
2-[6-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682332
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
methyl 6-(bromomethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine (CID 130089434) is 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine is FC(F)(F)Oc1cnc(CBr)c(Br)c1.
What is the InChIKey of 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine?
The InChIKey is WEAIXSUQHHSCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3NO/c8-2-6-5(9)1-4(3-13-6)14-7(10,11)12/h1,3H,2H2.
What are the key properties of 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine?
3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine has a molecular weight of 334.92 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).