2-Isopropoxy-pyridine-3-carbaldehyde

C₉H₁₁NO₂CAS 885278-10-4165.19 g/mol

Open in Covalent MOL file

Aldehyde Ether

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
logP: 1.68Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

885278-10-4

SMILES

CC(C)OC1=C(C=CC=N1)C=O

InChIKey

GNTQOKGIVMJHQG-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-7(2)12-9-8(6-11)4-3-5-10-9/h3-7H,1-2H3

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Names and synonyms

1 names

2-Isopropoxynicotinaldehyde

Work with 2-Isopropoxy-pyridine-3-carbaldehyde

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-Methoxypyridine-3-carbaldehyde71255-09-963 % similar 3-Bromo-2-isopropoxypyridine717843-55-556 % similar 2-Methylpyridine-3-carbaldehyde60032-57-754 % similar 2-Bromonicotinaldehyde128071-75-046 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-346 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-746 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-746 % similar 8-Quinolinecarboxaldehyde38707-70-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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