2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine

C6HBr2F4NO — CID 118820838

IUPAC2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
SMILESFc1nc(Br)c(Br)cc1OC(F)(F)F
InChIInChI=1S/C6HBr2F4NO/c7-2-1-3(14-6(10,11)12)5(9)13-4(2)8/h1H
InChIKeyPIVBYEQGMFOBHI-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.64
Rot. Bonds1

About 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine

2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine (PubChem CID 118820838) has the molecular formula C6HBr2F4NO and a molecular weight of 338.88 g/mol. Its IUPAC name is 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
PubChem CID118820838
Molecular FormulaC6HBr2F4NO
Molecular Weight338.88 g/mol
Exact Mass336.84
IUPAC Name2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
SMILESFc1nc(Br)c(Br)cc1OC(F)(F)F
InChIInChI=1S/C6HBr2F4NO/c7-2-1-3(14-6(10,11)12)5(9)13-4(2)8/h1H
InChIKeyPIVBYEQGMFOBHI-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.64
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

2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
CID 130094144
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
CID 171033225

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine (CID 118820838) is 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine is Fc1nc(Br)c(Br)cc1OC(F)(F)F.
What is the InChIKey of 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine?
The InChIKey is PIVBYEQGMFOBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2F4NO/c7-2-1-3(14-6(10,11)12)5(9)13-4(2)8/h1H.
What are the key properties of 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine?
2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine has a molecular weight of 338.88 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118820838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).