2-Hydroxymethyl-3-methyl-4-nitropyridine

C₇H₈N₂O₃CAS 168167-49-5168.15 g/mol

Open in Covalent MOL file

Alcohol Nitro

Properties

Molecular formula: C₇H₈N₂O₃
Molar mass: 168.15 g/mol
Exact mass: 168.0535 Da
logP: 0.79Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 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

168167-49-5

SMILES

CC1=C(C=CN=C1CO)[N+](=O)[O-]

InChIKey

YFYLOUJBRSOJSQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3

Weigh it out

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

Names and synonyms

1 names

(3-Methyl-4-nitro-2-pyridinyl)methanol

Work with 2-Hydroxymethyl-3-methyl-4-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

2,3-Dimethyl-4-nitropyridine68707-69-761 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-359 % similar 3,5-Dimethyl-4-nitro-2-pyridinemethanol149082-03-156 % similar 2,6-Dinitrotoluene606-20-253 % similar 2-Methyl-3-nitrophenol5460-31-149 % similar 3-Nitro-o-xylene83-41-049 % similar 2-Methyl-3-nitropyridine18699-87-146 % similar 2,3-Dimethyl-4-nitrophenol19499-93-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5 2-Ethoxy-5-nitropyridine31594-45-3

Elsewhere

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