5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine

C6H2BrF2IN2O2 — CID 130068182

IUPAC5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)c(I)c1C(F)F
InChIInChI=1S/C6H2BrF2IN2O2/c7-2-1-11-6(12(13)14)3(4(2)10)5(8)9/h1,5H
InChIKeyQOBATDPLZMLPHX-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine

5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine (PubChem CID 130068182) has the molecular formula C6H2BrF2IN2O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
PubChem CID130068182
Molecular FormulaC6H2BrF2IN2O2
Molecular Weight378.90 g/mol
Exact Mass377.83
IUPAC Name5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)c(I)c1C(F)F
InChIInChI=1S/C6H2BrF2IN2O2/c7-2-1-11-6(12(13)14)3(4(2)10)5(8)9/h1,5H
InChIKeyQOBATDPLZMLPHX-UHFFFAOYSA-N
XLogP3.29
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070
5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
CID 134675322
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-nitropyridine
CID 118807283
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
3-(chloromethyl)-4-(difluoromethyl)-5-iodo-2-nitropyridine
CID 130086604
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine?
The IUPAC name of 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine (CID 130068182) is 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine is O=[N+]([O-])c1ncc(Br)c(I)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine?
The InChIKey is QOBATDPLZMLPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2IN2O2/c7-2-1-11-6(12(13)14)3(4(2)10)5(8)9/h1,5H.
What are the key properties of 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine?
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine has a molecular weight of 378.90 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine is sourced from PubChem (CID 130068182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).