chempirical

8-Quinolinecarboxaldehyde

C10H7NOCAS 38707-70-9157.17 g/mol

Open in Covalent MOL file
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Aldehyde

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
logP
2.05Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
38707-70-9
SMILES
C1=CC2=C(C(=C1)C=O)N=CC=C2
InChIKey
OVZQVGZERAFSPI-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H

Weigh it out

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

Names and synonyms

1 names
  • 8-Quinolinecarbaldehyde

Work with 8-Quinolinecarboxaldehyde

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-Bromonicotinaldehyde128071-75-058 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-358 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-753 % similar 1,10-Phenanthroline66-71-752 % similar 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-251 % similar 8-Bromoquinoline16567-18-348 % similar 8-Chloroquinoline611-33-648 % similar 1-Naphthalenecarboxaldehyde66-77-348 % similar

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

Same formula

3-Quinolinecarboxaldehyde13669-42-6 Quinoline-5-carboxaldehyde22934-41-4 Isoquinoline-4-carbaldehyde22960-16-3 6-Quinolinecarbaldehyde4113-04-6 4-Quinolinecarboxaldehyde4363-93-3 Quinoline-7-carbaldehyde49573-30-0 1-Benzofuran-3-ylacetonitrile52407-43-9 2-Quinolinecarboxaldehyde5470-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook