chempirical

5-Hydroxynicotinic acid

C6H5NO3CAS 27828-71-3139.11 g/mol

Open in Covalent MOL file
OHONOH
Carboxylic acidPhenol

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
Melting point
299 °C (decomposes)
logP
0.49Crippen estimate
Polar surface area
70.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
27828-71-3
SMILES
O=C(O)c1cncc(O)c1
InChIKey
ATTDCVLRGFEHEO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, 5-hydroxy-
  • Nicotinic acid, 5-hydroxy-
  • 5-Hydroxy-3-pyridinecarboxylic acid
  • 5-Hydroxypyridine-3-carboxylic acid
  • NSC 606891
  • 3-Hydroxypyridin-5-ylcarboxylic acid

Work with 5-Hydroxynicotinic acid

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

Dinicotinic acid499-81-073 % similar 5-Bromonicotinic acid20826-04-461 % similar 5-Hydroxyisophthalic acid618-83-761 % similar 3,5-Dihydroxybenzoic acid99-10-561 % similar 5-Methylnicotinic acid3222-49-959 % similar 5-Fluoronicotinic acid402-66-459 % similar 5-Pyrimidinecarboxylic acid4595-61-357 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-554 % similar

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

Same formula

4-Nitrophenol100-02-7 3-Hydroxy-4-pyridinecarboxylic acid10128-71-9 Isonicotinic acid N-oxide13602-12-5 6-Hydroxypicolinic acid19621-92-2 Nicotinic acid N-oxide2398-81-4 6-Hydroxynicotinic acid5006-66-6 3-Nitrophenol554-84-7 4-Hydroxynicotinic acid609-70-1

Elsewhere

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