chempirical

2-Hydroxy-6-methyl-5-nitropyridine

C6H6N2O3CAS 28489-45-4154.13 g/mol

Open in Covalent MOL file
OHNN+OO−
Nitro

Properties

Molecular formula
C6H6N2O3
Molar mass
154.13 g/mol
Exact mass
154.0378 Da
logP
0.59Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 35 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28489-45-4
SMILES
CC1=C(C=CC(=O)N1)[N+](=O)[O-]
InChIKey
AJDDHNXZBGZBJN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H,7,9)

Weigh it out

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Work with 2-Hydroxy-6-methyl-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

6-Methyl-5-nitro-2-pyridinamine22280-62-263 % similar 2-Hydroxy-6-methyl-3-nitropyridine39745-39-651 % similar 3-Bromo-6-hydroxy-2-methylpyridine54923-31-846 % similar 2,3-Dimethyl-7-nitro-1H-indole41018-86-445 % similar 3,4-Dinitrotoluene610-39-944 % similar 2,6-Dinitrotoluene606-20-243 % similar 4-Nitro-m-xylene89-87-242 % similar 2-Nitrotoluene88-72-242 % similar

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

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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