chempirical

3-Hydroxy-4-pyridinecarboxylic acid

C6H5NO3CAS 10128-71-9139.11 g/mol

Open in Covalent MOL file
NOHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
logP
0.49Crippen estimate
Polar surface area
70.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
10128-71-9
SMILES
C1=CN=CC(=C1C(=O)O)O
InChIKey
JEHGATQUCUYHJL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-5-3-7-2-1-4(5)6(9)10/h1-3,8H,(H,9,10)

Weigh it out

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Work with 3-Hydroxy-4-pyridinecarboxylic 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

Cinchomeronic acid490-11-969 % similar 3-Bromoisonicotinic acid13959-02-961 % similar 4-Chloronicotinic acid10177-29-456 % similar 4-Methylnicotinic acid3222-50-256 % similar Salicylic acid69-72-755 % similar 3-Nitroisonicotinic acid59290-82-353 % similar 3-(5-Azaindole)carboxylic acid119248-43-050 % similar Ammonium salicylate528-94-950 % similar

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

Same formula

4-Nitrophenol100-02-7 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 4-Hydroxynicotinic acid609-70-1

Elsewhere

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