chempirical

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

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)

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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

2,5-Thiophenedicarboxylic acid4282-31-952 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-651 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-849 % similar 2-(5-Bromo-2-thienyl)pyridine123784-07-649 % similar Picolinic acid98-98-649 % similar Thieno[2,3-B]pyridine-2-carboxylic acid59944-76-247 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-244 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-644 % similar

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

Elsewhere

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