chempirical

2-Hydroxymethyl-3-methyl-4-nitropyridine

C7H8N2O3CAS 168167-49-5168.15 g/mol

Open in Covalent MOL file
NOHN+OO−
AlcoholNitro

Properties

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

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

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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-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 2-Bromo-6-nitrotoluene55289-35-546 % 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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