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

C6HBr2ClF3NO — CID 118833754

IUPAC3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1nc(Br)cc(Cl)c1Br
InChIInChI=1S/C6HBr2ClF3NO/c7-3-1-2(9)4(8)5(13-3)14-6(10,11)12/h1H
InChIKeyAKKZXIMCUPAIHD-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.16
Rot. Bonds1

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

3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine (PubChem CID 118833754) has the molecular formula C6HBr2ClF3NO and a molecular weight of 355.34 g/mol. Its IUPAC name is 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
PubChem CID118833754
Molecular FormulaC6HBr2ClF3NO
Molecular Weight355.34 g/mol
Exact Mass352.81
IUPAC Name3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1nc(Br)cc(Cl)c1Br
InChIInChI=1S/C6HBr2ClF3NO/c7-3-1-2(9)4(8)5(13-3)14-6(10,11)12/h1H
InChIKeyAKKZXIMCUPAIHD-UHFFFAOYSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.16
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-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
CID 130934949
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 131011038
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
CID 131118784
1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
CID 171006403
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133087730
4-chloro-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 118817216
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine (CID 118833754) is 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine is FC(F)(F)Oc1nc(Br)cc(Cl)c1Br.
What is the InChIKey of 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine?
The InChIKey is AKKZXIMCUPAIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClF3NO/c7-3-1-2(9)4(8)5(13-3)14-6(10,11)12/h1H.
What are the key properties of 3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine?
3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine has a molecular weight of 355.34 g/mol, XLogP of 4.16, 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-chloro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118833754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).