4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine

C7H2BrF5N2O3 — CID 118816776

IUPAC4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1c(Br)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C7H2BrF5N2O3/c8-2-1-3(18-7(11,12)13)14-4(6(9)10)5(2)15(16)17/h1,6H
InChIKeyALJGKYFGXFFNHS-UHFFFAOYSA-N
MW337.00 g/mol
LogP3.59
Rot. Bonds3

About 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine

4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine (PubChem CID 118816776) has the molecular formula C7H2BrF5N2O3 and a molecular weight of 337.00 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
PubChem CID118816776
Molecular FormulaC7H2BrF5N2O3
Molecular Weight337.00 g/mol
Exact Mass335.92
IUPAC Name4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1c(Br)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C7H2BrF5N2O3/c8-2-1-3(18-7(11,12)13)14-4(6(9)10)5(2)15(16)17/h1,6H
InChIKeyALJGKYFGXFFNHS-UHFFFAOYSA-N
XLogP3.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
CID 118837547
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
4-bromo-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118845193
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025074
2-chloro-6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 119016049
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
1-bromo-3-(difluoromethyl)-2-nitro-5-(trifluoromethyl)benzene
CID 171002759
2-[2-iodo-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134676198
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine?
The IUPAC name of 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine (CID 118816776) is 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine is O=[N+]([O-])c1c(Br)cc(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine?
The InChIKey is ALJGKYFGXFFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5N2O3/c8-2-1-3(18-7(11,12)13)14-4(6(9)10)5(2)15(16)17/h1,6H.
What are the key properties of 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine?
4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine has a molecular weight of 337.00 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118816776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).