6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine

C7H4Br2F2N2O2 — CID 130069737

IUPAC6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)cc(Br)nc1CBr
InChIInChI=1S/C7H4Br2F2N2O2/c8-2-4-6(13(14)15)3(7(10)11)1-5(9)12-4/h1,7H,2H2
InChIKeyNUEIVXUXPFAURN-UHFFFAOYSA-N
MW345.93 g/mol
LogP3.58
Rot. Bonds3

About 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine

6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine (PubChem CID 130069737) has the molecular formula C7H4Br2F2N2O2 and a molecular weight of 345.93 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine.

Molecular Properties

Compound Name6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
PubChem CID130069737
Molecular FormulaC7H4Br2F2N2O2
Molecular Weight345.93 g/mol
Exact Mass343.86
IUPAC Name6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)cc(Br)nc1CBr
InChIInChI=1S/C7H4Br2F2N2O2/c8-2-4-6(13(14)15)3(7(10)11)1-5(9)12-4/h1,7H,2H2
InChIKeyNUEIVXUXPFAURN-UHFFFAOYSA-N
XLogP3.58
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

2-[6-bromo-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134675378
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
CID 130110786
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
CID 130086547
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine?
The IUPAC name of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine (CID 130069737) is 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine.
What is the SMILES notation for 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine?
The canonical SMILES for 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine is O=[N+]([O-])c1c(C(F)F)cc(Br)nc1CBr.
What is the InChIKey of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine?
The InChIKey is NUEIVXUXPFAURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2N2O2/c8-2-4-6(13(14)15)3(7(10)11)1-5(9)12-4/h1,7H,2H2.
What are the key properties of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine?
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine has a molecular weight of 345.93 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine is sourced from PubChem (CID 130069737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).