chempirical

Pyridazine-3-carboxylic acid

C5H4N2O2CAS 2164-61-6124.10 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C5H4N2O2
Molar mass
124.10 g/mol
Exact mass
124.0273 Da
logP
0.17Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2164-61-6
SMILES
C1=CC(=NN=C1)C(=O)O
InChIKey
RUUOPSRRIKJHNH-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-2-1-3-6-7-4/h1-3H,(H,8,9)

Weigh it out

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

Names and synonyms

1 names
  • 3-Pyridazinecarboxylic acid

Work with Pyridazine-3-carboxylic 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

3,6-Pyridazinedicarboxylic acid57266-70-362 % similar Dipicolinic acid499-83-257 % similar Picolinic acid98-98-657 % similar 1-(Pyridazin-3-yl)ethan-1-one1122-63-055 % similar 2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-752 % similar Picolinic acid hydrochloride636-80-652 % similar Methyl pyridazine-3-carboxylate34253-02-650 % similar Oxobis(picolinato)vanadium14049-90-249 % similar

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

Same formula

4-Nitropyridine1122-61-8 3-Nitropyridine2530-26-9 4-Pyrimidinecarboxylic acid31462-59-6 Pyrimidine-2-carboxylic acid31519-62-7 5-Pyrimidinecarboxylic acid4595-61-3 4-Pyridazinecarboxylic acid50681-25-9 Pyrazinoic acid98-97-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook