Isoquinoline-5-carboxaldehyde

C₁₀H₇NOCAS 80278-67-7157.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₇NO
Molar mass: 157.17 g/mol
Exact mass: 157.0528 Da
logP: 2.05Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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 5-Hydroxyisoquinoline2439-04-550 % 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

PubChem CAS Common Chemistry NIST WebBook