chempirical

4-Hydroxynicotinic acid

C6H5NO3CAS 609-70-1139.11 g/mol

Open in Covalent MOL file
OHONHO
Carboxylic acid

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
Melting point
245–247 °C
logP
0.07Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
609-70-1
SMILES
O=C(O)c1c[nH]ccc1=O
InChIKey
CHCUBGPSZDGABM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridinecarboxylic acid, 4-hydroxy-
  • Nicotinic acid, 4-hydroxy-
  • 4-Hydroxy-3-pyridinecarboxylic acid
  • 4-Hydroxypyridine-3-carboxylic acid

Work with 4-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

4-Aminonicotinic acid7418-65-761 % similar Pyrrole-3-carboxylic acid931-03-355 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-243 % similar Phthalic acid88-99-343 % similar 3-Fluoro-4-pyridinol22282-73-142 % similar 3-Bromo-4-pyridinol36953-41-042 % similar 4-Hydroxy-3-pyridinesulfonic acid51498-37-442 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-241 % 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 5-Hydroxynicotinic acid27828-71-3 6-Hydroxynicotinic acid5006-66-6 3-Nitrophenol554-84-7

Elsewhere

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