Isoquinoline-5-carboxaldehyde

C10H7NOCAS 80278-67-7157.17 g/mol

Open in Covalent MOL file
NO
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 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
80278-67-7
SMILES
C1=CC2=C(C=CN=C2)C(=C1)C=O
InChIKey
ILRSABOCKMOFGW-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H

Weigh it out

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

Names and synonyms

1 names
  • Isoquinoline-5-carbaldehyde

Work with Isoquinoline-5-carboxaldehyde

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

1-Naphthalenecarboxaldehyde66-77-360 % similar 5-Bromoisoquinoline34784-04-852 % similar 5-Chloroisoquinoline5430-45-552 % similar 5-Aminoisoquinoline1125-60-650 % similar 4-Chloropyridine-3-carboxaldehyde114077-82-650 % similar Isoquinolin-5-ol2439-04-550 % similar 3-Chloro-4-pyridinecarboxaldehyde72990-37-550 % similar 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-749 % 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 8-Quinolinecarboxaldehyde38707-70-9 6-Quinolinecarbaldehyde4113-04-6 4-Quinolinecarboxaldehyde4363-93-3 Quinoline-7-carbaldehyde49573-30-0 1-Benzofuran-3-ylacetonitrile52407-43-9

Elsewhere

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