chempirical

Ethyl 4,6-dihydroxynicotinate

C8H9NO4CAS 6975-44-6183.16 g/mol

Open in Covalent MOL file
OONHOHO
EsterPhenol

Properties

Molecular formula
C8H9NO4
Molar mass
183.16 g/mol
Exact mass
183.0532 Da
logP
0.26Crippen estimate
Polar surface area
79.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6975-44-6
SMILES
CCOC(=O)C1=CNC(=O)C=C1O
InChIKey
QDHHLXABEXNRJX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 4, 6-Dihydroxynicotinic acid ethyl ester

Work with Ethyl 4,6-dihydroxynicotinate

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

Diethyl 2,5-dihydroxyterephthalate5870-38-265 % similar Ethyl salicylate118-61-652 % similar Ethyl 2-amino-1,4-dihydro-4-oxo-5-pyrimidinecarboxylate15400-53-050 % similar Ethyl protocatechuate3943-89-349 % similar Ethyl gallate831-61-849 % similar Ethyl 2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate3424-43-948 % similar Ethyl indole-3-carboxylate776-41-048 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-047 % similar

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

Same formula

2-(4-Nitrophenoxy)ethanol16365-27-8 2,4-Dimethoxy-1-nitrobenzene4920-84-7 4-Maleimidobutyric acid57078-98-5 1,2-Dimethoxy-4-nitrobenzene709-09-1 1,4-Dimethoxy-2-nitrobenzene89-39-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook