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

C6H3BrF2N2O2 — CID 119024108

IUPAC2-bromo-4-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Br)cc1C(F)F
InChIInChI=1S/C6H3BrF2N2O2/c7-5-1-3(6(8)9)4(2-10-5)11(12)13/h1-2,6H
InChIKeyROSNUEDESUDUBK-UHFFFAOYSA-N
MW253.00 g/mol
LogP2.69
Rot. Bonds2

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

2-bromo-4-(difluoromethyl)-5-nitropyridine (PubChem CID 119024108) has the molecular formula C6H3BrF2N2O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-5-nitropyridine
PubChem CID119024108
Molecular FormulaC6H3BrF2N2O2
Molecular Weight253.00 g/mol
Exact Mass251.93
IUPAC Name2-bromo-4-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Br)cc1C(F)F
InChIInChI=1S/C6H3BrF2N2O2/c7-5-1-3(6(8)9)4(2-10-5)11(12)13/h1-2,6H
InChIKeyROSNUEDESUDUBK-UHFFFAOYSA-N
XLogP2.69
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
CID 130110786
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
(2-bromo-5-nitro-4-pyridinyl)-(4-methylphenyl)methanesulfinate
CID 89440868
CID 164551635
CID 164551635
2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine
CID 119013174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-5-nitropyridine?
The IUPAC name of 2-bromo-4-(difluoromethyl)-5-nitropyridine (CID 119024108) is 2-bromo-4-(difluoromethyl)-5-nitropyridine.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-5-nitropyridine?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-5-nitropyridine is O=[N+]([O-])c1cnc(Br)cc1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-5-nitropyridine?
The InChIKey is ROSNUEDESUDUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O2/c7-5-1-3(6(8)9)4(2-10-5)11(12)13/h1-2,6H.
What are the key properties of 2-bromo-4-(difluoromethyl)-5-nitropyridine?
2-bromo-4-(difluoromethyl)-5-nitropyridine has a molecular weight of 253.00 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-5-nitropyridine is sourced from PubChem (CID 119024108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).