2-Acetamido-5-nitropyridine

C₇H₇N₃O₃CAS 5093-64-1181.15 g/mol

Open in Covalent MOL file

Amide Nitro

Properties

Molecular formula: C₇H₇N₃O₃
Molar mass: 181.15 g/mol
Exact mass: 181.0487 Da
logP: 0.95Crippen estimate
Polar surface area: 85.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction86.7% of notifiers
H318 Causes serious eye damage95.6% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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 o-Nitrobenzohydrazide606-26-8 3-Nitrobenzohydrazide618-94-0 4-Nitrobenzoic acid hydrazide636-97-5

Elsewhere

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