5-(2-Pyridyl)thiophene-2-carboxylic acid

C10H7NO2SCAS 119082-97-2205.23 g/mol

Open in Covalent MOL file
NSOHO
Carboxylic acid

Properties

Molecular formula
C10H7NO2S
Molar mass
205.23 g/mol
Exact mass
205.0197 Da
logP
2.51Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
119082-97-2
SMILES
C1=CC=NC(=C1)C2=CC=C(S2)C(=O)O
InChIKey
HQULGJDHOPDURG-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2S/c12-10(13)9-5-4-8(14-9)7-3-1-2-6-11-7/h1-6H,(H,12,13)

Weigh it out

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Names and synonyms

1 names
  • 5-(Pyridin-2-yl)thiophene-2-carboxylic acid

Work with 5-(2-Pyridyl)thiophene-2-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

5-Phenylthiophene-2-carboxylic acid19163-24-759 % similar 4-(2-Pyridyl)benzoic acid4385-62-053 % similar 2,5-Thiophenedicarboxylic acid4282-31-952 % similar 2,2':6',2''-Terpyridine-4'-carboxylic acid148332-36-951 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-651 % similar 2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid933988-22-851 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-849 % similar 2-(5-Bromo-2-thienyl)pyridine123784-07-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenyl-4-carboxythiazole7113-10-2

Elsewhere

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