6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde

C₁₀H₁₂N₂OCAS 261715-39-3176.22 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₀H₁₂N₂O
Molar mass: 176.22 g/mol
Exact mass: 176.0950 Da
logP: 1.49Crippen estimate
Polar surface area: 33.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

261715-39-3

SMILES

C1CCN(C1)C2=NC=C(C=C2)C=O

InChIKey

FFFAXGTZBUMKTI-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2

Weigh it out

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

Names and synonyms

1 names

6-(1-Pyrrolidinyl)nicotinaldehyde

Work with 6-(Pyrrolidin-1-yl)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

4-(Piperidin-1-yl)benzaldehyde10338-57-558 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-255 % similar 2,2'-Bipyridyl-5,5'-dialdehyde135822-72-950 % similar 6-Methoxypyridine-3-carbaldehyde65873-72-546 % similar 6-Hydroxynicotinaldehyde106984-91-246 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-446 % similar 2-Chloropyridine-5-carbaldehyde23100-12-146 % similar 6-Methyl-3-pyridinecarboxaldehyde53014-84-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-3 1H-Benzimidazole-2-propanol2403-66-9 4-Methyl-1-phenylpyrazolidin-3-one2654-57-1 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-8 Serotonin50-67-9 3-Phenylpiperazin-2-one5368-28-5 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-4 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-2

Elsewhere

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