2-(3-Thienyl)-3-pyridinecarboxaldehyde

C10H7NOSCAS 885950-13-0189.23 g/mol

Open in Covalent MOL file
NSO
Aldehyde

Properties

Molecular formula
C10H7NOS
Molar mass
189.23 g/mol
Exact mass
189.0248 Da
logP
2.62Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 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

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
885950-13-0
SMILES
C1=CC(=C(N=C1)C2=CSC=C2)C=O
InChIKey
HAUWSNYPEZPXNX-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NOS/c12-6-8-2-1-4-11-10(8)9-3-5-13-7-9/h1-7H

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Names and synonyms

1 names
  • 2-(3-Thienyl)nicotinaldehyde

Work with 2-(3-Thienyl)-3-pyridinecarboxaldehyde

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-(4-Fluorophenyl)nicotinaldehyde885950-17-455 % similar Quinoline-5-carboxaldehyde22934-41-447 % similar 2-Bromonicotinaldehyde128071-75-046 % similar 4-(Thiophen-3-yl)benzaldehyde157730-74-046 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-346 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-746 % similar 2-Methylpyridine-3-carbaldehyde60032-57-746 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook