2-Hydroxy-6-methyl-3-nitropyridine

C₆H₆N₂O₃CAS 39745-39-6154.13 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

39745-39-6

SMILES

CC1=CC=C(C(=O)N1)[N+](=O)[O-]

InChIKey

YVYDGIGILRUPED-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)

Weigh it out

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

Names and synonyms

1 names

6-Hydroxy-5-nitro-2-picoline

Work with 2-Hydroxy-6-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-Hydroxy-6-methyl-5-nitropyridine28489-45-451 % similar 4-Hydroxy-6-methyl-3-nitro-2-pyridone4966-90-950 % similar DNQX2379-57-949 % similar 6-Methyl-5-nitro-2-pyridinamine22280-62-246 % similar 2-Hydroxy-5-methyl-3-nitropyridine7464-14-446 % similar 3-Bromo-2-hydroxy-6-picoline374633-33-746 % similar 3,4-Dinitrotoluene610-39-944 % similar 2,6-Dinitrotoluene606-20-243 % 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

PubChem CAS Common Chemistry NIST WebBook