chempirical

3,5-Dimethyl-4-nitro-2-pyridinemethanol

C8H10N2O3CAS 149082-03-1182.18 g/mol

Open in Covalent MOL file
NOHN+OO−
AlcoholNitro

Properties

Molecular formula
C8H10N2O3
Molar mass
182.18 g/mol
Exact mass
182.0691 Da
Melting point
65.2–66 °C
logP
1.10Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
149082-03-1
SMILES
Cc1cnc(CO)c(C)c1[N+](=O)[O-]
InChIKey
KBCDOXSSYLFMHH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3/c1-5-3-9-7(4-11)6(2)8(5)10(12)13/h3,11H,4H2,1-2H3

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Names and synonyms

6 names
  • 2-Pyridinemethanol, 3,5-dimethyl-4-nitro-
  • 2-(Hydroxymethyl)-3,5-dimethyl-4-nitropyridine
  • 3,5-Dimethyl-4-nitropyridine-2-methanol
  • 4-Nitro-3,5-dimethyl-2-(hydroxymethyl)pyridine
  • (3,5-Dimethyl-4-nitropyridin-2-yl)methanol
  • 3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine

Work with 3,5-Dimethyl-4-nitro-2-pyridinemethanol

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

4-Methoxy-3,5-dimethyl-2-pyridinemethanol86604-78-649 % similar 2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-043 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-343 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-442 % similar 4-Methyl-3-nitrobenzenemethanol40870-59-541 % similar 3-Methyl-4-nitrobenzenemethanol80866-75-741 % similar 3-Nitro-O-xylene83-41-040 % similar 2,6-Dimethylnitrobenzene81-20-940 % similar

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

Same formula

Hc yellow 24926-55-0 4-Ethoxy-2-nitroaniline616-86-4 2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-7

Elsewhere

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