3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine

C6HBrF4INO — CID 131118784

IUPAC3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
SMILESFc1cc(I)nc(OC(F)(F)F)c1Br
InChIInChI=1S/C6HBrF4INO/c7-4-2(8)1-3(12)13-5(4)14-6(9,10)11/h1H
InChIKeyDRVXCXBVDCYPHE-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.49
Rot. Bonds1

About 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine

3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine (PubChem CID 131118784) has the molecular formula C6HBrF4INO and a molecular weight of 385.88 g/mol. Its IUPAC name is 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
PubChem CID131118784
Molecular FormulaC6HBrF4INO
Molecular Weight385.88 g/mol
Exact Mass384.82
IUPAC Name3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
SMILESFc1cc(I)nc(OC(F)(F)F)c1Br
InChIInChI=1S/C6HBrF4INO/c7-4-2(8)1-3(12)13-5(4)14-6(9,10)11/h1H
InChIKeyDRVXCXBVDCYPHE-UHFFFAOYSA-N
XLogP3.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
CID 130934949
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982
4-bromo-5-fluoro-2-(trifluoromethoxy)pyridin-3-ol
CID 118851239
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
6-bromo-5-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130909745
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine (CID 131118784) is 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine is Fc1cc(I)nc(OC(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine?
The InChIKey is DRVXCXBVDCYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF4INO/c7-4-2(8)1-3(12)13-5(4)14-6(9,10)11/h1H.
What are the key properties of 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine?
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine has a molecular weight of 385.88 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 131118784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).