4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine

C6HBrF4INO — CID 131096509

IUPAC4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
SMILESFc1ncc(I)c(Br)c1OC(F)(F)F
InChIInChI=1S/C6HBrF4INO/c7-3-2(12)1-13-5(8)4(3)14-6(9,10)11/h1H
InChIKeyFDDVEPOGNNUETQ-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.49
Rot. Bonds1

About 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine

4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine (PubChem CID 131096509) has the molecular formula C6HBrF4INO and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
PubChem CID131096509
Molecular FormulaC6HBrF4INO
Molecular Weight385.88 g/mol
Exact Mass384.82
IUPAC Name4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
SMILESFc1ncc(I)c(Br)c1OC(F)(F)F
InChIInChI=1S/C6HBrF4INO/c7-3-2(12)1-13-5(8)4(3)14-6(9,10)11/h1H
InChIKeyFDDVEPOGNNUETQ-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'}

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Related Compounds

4-bromo-6-fluoro-5-(trifluoromethoxy)pyridin-3-ol
CID 118811661
4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 118833826
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
4-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 130092123
2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine
CID 119012985
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine (CID 131096509) is 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine is Fc1ncc(I)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine?
The InChIKey is FDDVEPOGNNUETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF4INO/c7-3-2(12)1-13-5(8)4(3)14-6(9,10)11/h1H.
What are the key properties of 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine?
4-bromo-2-fluoro-5-iodo-3-(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 4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 131096509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).