3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine

C6H2BrClF2IN — CID 130107872

IUPAC3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1c(I)cnc(Cl)c1Br
InChIInChI=1S/C6H2BrClF2IN/c7-4-3(6(9)10)2(11)1-12-5(4)8/h1,6H
InChIKeyICIVRLBVDXSETL-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.04
Rot. Bonds1

About 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine

3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine (PubChem CID 130107872) has the molecular formula C6H2BrClF2IN and a molecular weight of 368.35 g/mol. Its IUPAC name is 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
PubChem CID130107872
Molecular FormulaC6H2BrClF2IN
Molecular Weight368.35 g/mol
Exact Mass366.81
IUPAC Name3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1c(I)cnc(Cl)c1Br
InChIInChI=1S/C6H2BrClF2IN/c7-4-3(6(9)10)2(11)1-12-5(4)8/h1,6H
InChIKeyICIVRLBVDXSETL-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.04
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'}

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Related Compounds

2-chloro-3-(chloromethyl)-4-(difluoromethyl)-5-iodopyridine
CID 119014483
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
CID 130073145
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
CID 118850008
2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
CID 119010566
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine?
The IUPAC name of 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine (CID 130107872) is 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine.
What is the SMILES notation for 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine?
The canonical SMILES for 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine is FC(F)c1c(I)cnc(Cl)c1Br.
What is the InChIKey of 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine?
The InChIKey is ICIVRLBVDXSETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2IN/c7-4-3(6(9)10)2(11)1-12-5(4)8/h1,6H.
What are the key properties of 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine?
3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine has a molecular weight of 368.35 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine is sourced from PubChem (CID 130107872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).