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

C7H5BrF2N2O3 — CID 118834452

IUPAC4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
SMILESCOc1cc(Br)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H5BrF2N2O3/c1-15-4-2-3(8)6(12(13)14)5(11-4)7(9)10/h2,7H,1H3
InChIKeyRJJWNNUKMGSIHN-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.70
Rot. Bonds3

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

4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine (PubChem CID 118834452) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
PubChem CID118834452
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
SMILESCOc1cc(Br)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H5BrF2N2O3/c1-15-4-2-3(8)6(12(13)14)5(11-4)7(9)10/h2,7H,1H3
InChIKeyRJJWNNUKMGSIHN-UHFFFAOYSA-N
XLogP2.70
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 52.70
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'}

Analyze 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
CID 118816776
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
CID 118837547
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
CID 118803999
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine (CID 118834452) is 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine is COc1cc(Br)c([N+](=O)[O-])c(C(F)F)n1.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine?
The InChIKey is RJJWNNUKMGSIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c1-15-4-2-3(8)6(12(13)14)5(11-4)7(9)10/h2,7H,1H3.
What are the key properties of 4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine?
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine has a molecular weight of 283.03 g/mol, XLogP of 2.70, 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)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 118834452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).