4-bromo-5-(difluoromethyl)-2,3-diiodopyridine

C6H2BrF2I2N — CID 118806090

IUPAC4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
SMILESFC(F)c1cnc(I)c(I)c1Br
InChIInChI=1S/C6H2BrF2I2N/c7-3-2(5(8)9)1-12-6(11)4(3)10/h1,5H
InChIKeyOXROLRBHRDDLFD-UHFFFAOYSA-N
MW459.80 g/mol
LogP3.99
Rot. Bonds1

About 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine

4-bromo-5-(difluoromethyl)-2,3-diiodopyridine (PubChem CID 118806090) has the molecular formula C6H2BrF2I2N and a molecular weight of 459.80 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
PubChem CID118806090
Molecular FormulaC6H2BrF2I2N
Molecular Weight459.80 g/mol
Exact Mass458.74
IUPAC Name4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
SMILESFC(F)c1cnc(I)c(I)c1Br
InChIInChI=1S/C6H2BrF2I2N/c7-3-2(5(8)9)1-12-6(11)4(3)10/h1,5H
InChIKeyOXROLRBHRDDLFD-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.80
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine 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

4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609
methyl 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine (CID 118806090) is 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine is FC(F)c1cnc(I)c(I)c1Br.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine?
The InChIKey is OXROLRBHRDDLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2I2N/c7-3-2(5(8)9)1-12-6(11)4(3)10/h1,5H.
What are the key properties of 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine?
4-bromo-5-(difluoromethyl)-2,3-diiodopyridine has a molecular weight of 459.80 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-2,3-diiodopyridine is sourced from PubChem (CID 118806090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).