3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine

C7H4Br2F3NO — CID 130093635

IUPAC3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cc(Br)nc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H4Br2F3NO/c1-3-2-4(8)13-6(5(3)9)14-7(10,11)12/h2H,1H3
InChIKeyWGYAUEZQQJBKCM-UHFFFAOYSA-N
MW334.92 g/mol
LogP3.81
Rot. Bonds1

About 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine

3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 130093635) has the molecular formula C7H4Br2F3NO and a molecular weight of 334.92 g/mol. Its IUPAC name is 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
PubChem CID130093635
Molecular FormulaC7H4Br2F3NO
Molecular Weight334.92 g/mol
Exact Mass332.86
IUPAC Name3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cc(Br)nc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H4Br2F3NO/c1-3-2-4(8)13-6(5(3)9)14-7(10,11)12/h2H,1H3
InChIKeyWGYAUEZQQJBKCM-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
CID 130934949
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
CID 131118784
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133087730
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine (CID 130093635) is 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine is Cc1cc(Br)nc(OC(F)(F)F)c1Br.
What is the InChIKey of 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is WGYAUEZQQJBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3NO/c1-3-2-4(8)13-6(5(3)9)14-7(10,11)12/h2H,1H3.
What are the key properties of 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine?
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine has a molecular weight of 334.92 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130093635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).