6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid

C₉H₇N₃O₂CAS 253315-22-9189.17 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₉H₇N₃O₂
Molar mass: 189.17 g/mol
Exact mass: 189.0538 Da
logP: 0.97Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

253315-22-9

SMILES

C1=CN(N=C1)C2=NC=C(C=C2)C(=O)O

InChIKey

QWFKXYLAKWFQLF-UHFFFAOYSA-N

InChI

InChI=1S/C9H7N3O2/c13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

6-(1H-Pyrazol-1-yl)nicotinic acid

Work with 6-(1H-Pyrazol-1-yl)pyridine-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

4-(1H-Pyrazol-1-yl)benzoic acid16209-00-064 % similar 2-(1H-Pyrazol-1-yl)benzoic acid55317-53-851 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-850 % similar 2,5-Pyridinedicarboxylic acid100-26-549 % similar 5-Chloromethyl-2-(pyrazol-1-yl)pyridine748796-39-648 % similar 6-Fluoronicotinic acid403-45-248 % similar 6-Hydroxynicotinic acid5006-66-648 % similar 6,6'-Dithiodinicotinic acid15658-35-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4H-1,2,4-Triazol-4-yl)benzoic acid157069-48-2 3-(1H-1,2,4-Triazol-1-yl)benzoic acid167626-64-4 3-(4-Nitrophenyl)-1H-pyrazole20583-31-7 1-(4-Nitrophenyl)-1H-imidazole2301-25-9 5-Amino-6-nitroquinoline35975-00-9

Elsewhere

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