chempirical

5-Bromo-2-methoxy-4-methyl-3-nitropyridine

C7H7BrN2O3CAS 884495-14-1247.05 g/mol

Open in Covalent MOL file
NBrON+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C7H7BrN2O3
Molar mass
247.05 g/mol
Exact mass
245.9640 Da
logP
2.07Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
884495-14-1
SMILES
CC1=C(C(=NC=C1Br)OC)[N+](=O)[O-]
InChIKey
BGDKJBCVNNWITN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrN2O3/c1-4-5(8)3-9-7(13-2)6(4)10(11)12/h3H,1-2H3

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Names and synonyms

1 names
  • 5-Bromo-2-methoxy-3-nitro-4-picoline

Work with 5-Bromo-2-methoxy-4-methyl-3-nitropyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-662 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-262 % similar 3-Bromo-2-methoxy-5-nitropyridine15862-50-758 % similar 5-Bromo-2-methoxy-3-nitropyridine152684-30-551 % similar 2-Methoxy-3-methyl-5-nitropyridine89694-10-049 % similar 1-Bromo-3-methoxy-2-nitrobenzene500298-30-649 % similar 3-Bromo-4-methyl-5-nitropyridine69872-15-749 % similar 5-Bromo-2-hydroxy-3-nitro-4-picoline228410-90-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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