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

C6H3BrF2IN — CID 119013821

IUPAC2-bromo-4-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1ccnc(Br)c1I
InChIInChI=1S/C6H3BrF2IN/c7-5-4(10)3(6(8)9)1-2-11-5/h1-2,6H
InChIKeyRIJAPTGGMGWKRM-UHFFFAOYSA-N
MW333.90 g/mol
LogP3.39
Rot. Bonds1

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

2-bromo-4-(difluoromethyl)-3-iodopyridine (PubChem CID 119013821) has the molecular formula C6H3BrF2IN and a molecular weight of 333.90 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-3-iodopyridine.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-3-iodopyridine
PubChem CID119013821
Molecular FormulaC6H3BrF2IN
Molecular Weight333.90 g/mol
Exact Mass332.85
IUPAC Name2-bromo-4-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1ccnc(Br)c1I
InChIInChI=1S/C6H3BrF2IN/c7-5-4(10)3(6(8)9)1-2-11-5/h1-2,6H
InChIKeyRIJAPTGGMGWKRM-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 53.39
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

(1S)-1-(2-bromo-3-iodo-4-pyridinyl)prop-2-en-1-amine
CID 130786136
4-(difluoromethyl)-3-iodo-2-nitropyridine
CID 118807047
2-bromo-4-chloro-3-iodopyridine
CID 59332995
3-bromo-4-(difluoromethyl)pyridin-2-amine
CID 119020866
4-(difluoromethyl)-2-iodopyridin-3-ol
CID 118801182
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
CID 118806090
2-bromo-4-iodo-3-methylpyridine
CID 119024752
7-(difluoromethyl)-1H-pyrrolo[3,2-b]pyridine
CID 76847400
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-3-iodopyridine?
The IUPAC name of 2-bromo-4-(difluoromethyl)-3-iodopyridine (CID 119013821) is 2-bromo-4-(difluoromethyl)-3-iodopyridine.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-3-iodopyridine?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-3-iodopyridine is FC(F)c1ccnc(Br)c1I.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-3-iodopyridine?
The InChIKey is RIJAPTGGMGWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2IN/c7-5-4(10)3(6(8)9)1-2-11-5/h1-2,6H.
What are the key properties of 2-bromo-4-(difluoromethyl)-3-iodopyridine?
2-bromo-4-(difluoromethyl)-3-iodopyridine has a molecular weight of 333.90 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-3-iodopyridine is sourced from PubChem (CID 119013821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).