chempirical

2-Acetamido-5-nitropyridine

C7H7N3O3CAS 5093-64-1181.15 g/mol

Open in Covalent MOL file
OHNNN+OO−
AmideNitro

Properties

Molecular formula
C7H7N3O3
Molar mass
181.15 g/mol
Exact mass
181.0487 Da
logP
0.95Crippen estimate
Polar surface area
85.1 Ų
H-bond donors / acceptors
1 / 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
5093-64-1
SMILES
CC(=O)NC1=NC=C(C=C1)[N+](=O)[O-]
InChIKey
XKAASKOXADTLIG-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O3/c1-5(11)9-7-3-2-6(4-8-7)10(12)13/h2-4H,1H3,(H,8,9,11)

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Work with 2-Acetamido-5-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-Acetamido-5-fluoropyridine100304-88-954 % similar 2-Acetamido-5-aminopyridine29958-14-354 % similar 2-Acetamido-5-bromopyridine7169-97-354 % similar N-Acetyl-2-(4-nitrophenyl)ethylamine6270-07-153 % similar 2-Methyl-5-nitropyridine21203-68-950 % similar 6-Iodo-3-nitropyridine28080-54-850 % similar 6-Methoxy-3-nitropyridine5446-92-450 % similar 4'-Nitro-2'-(trifluoromethyl)acetanilide395-68-649 % similar

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

Same formula

2-Amino-3-nitrobenzamide313279-12-8 2-Nitrobenzohydrazide606-26-8 3-Nitrobenzohydrazide618-94-0 4-Nitrobenzoic acid hydrazide636-97-5

Elsewhere

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