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

C6H3BrF2N2O2 — CID 130095069

IUPAC3-bromo-2-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(Br)c1
InChIInChI=1S/C6H3BrF2N2O2/c7-4-1-3(11(12)13)2-10-5(4)6(8)9/h1-2,6H
InChIKeyGMKYGYNIEAYJPN-UHFFFAOYSA-N
MW253.00 g/mol
LogP2.69
Rot. Bonds2

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

3-bromo-2-(difluoromethyl)-5-nitropyridine (PubChem CID 130095069) has the molecular formula C6H3BrF2N2O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-5-nitropyridine
PubChem CID130095069
Molecular FormulaC6H3BrF2N2O2
Molecular Weight253.00 g/mol
Exact Mass251.93
IUPAC Name3-bromo-2-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(Br)c1
InChIInChI=1S/C6H3BrF2N2O2/c7-4-1-3(11(12)13)2-10-5(4)6(8)9/h1-2,6H
InChIKeyGMKYGYNIEAYJPN-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
3-(3-bromo-5-nitro-2-pyridinyl)butan-2-one
CID 79524584
3-(3-bromo-5-nitro-2-pyridinyl)-N-methylbutan-2-amine
CID 79523548
5-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069132
3-bromo-5-nitropyridine-2-sulfonamide
CID 79524071
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
2-bromo-3-(difluoromethoxy)-5-nitropyridine
CID 130863918
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 53407765
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-5-nitropyridine?
The IUPAC name of 3-bromo-2-(difluoromethyl)-5-nitropyridine (CID 130095069) is 3-bromo-2-(difluoromethyl)-5-nitropyridine.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-5-nitropyridine?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-5-nitropyridine is O=[N+]([O-])c1cnc(C(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-5-nitropyridine?
The InChIKey is GMKYGYNIEAYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O2/c7-4-1-3(11(12)13)2-10-5(4)6(8)9/h1-2,6H.
What are the key properties of 3-bromo-2-(difluoromethyl)-5-nitropyridine?
3-bromo-2-(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 3-bromo-2-(difluoromethyl)-5-nitropyridine is sourced from PubChem (CID 130095069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).