5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde

HCID 21097352

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Basic information

CAS: 1082065-93-7
Standard SMILES: Cc1c(C=O)cnn1-c1ccccn1
InChIKey: SZVYIBYKEXGYRW-UHFFFAOYSA-N
Molecular formula: C10H9N3O
Average molar mass: 187.2 g/mol

Names & identifiers

Preferred name: 5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde
IUPAC: 5-methyl-1-pyridin-2-ylpyrazole-4-carbaldehyde
English name: 1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-(2-pyridinyl)-
Molecular formula: C10H9N3O
Molecular weight: 187.2

Names & synonyms

1082065-93-75-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehydeSCHEMBL122430SCHEMBL31596129SZVYIBYKEXGYRW-UHFFFAOYSA-N1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-(2-pyridinyl)-

Database identifiers

CAS: 1082065-93-7
PubChem CID: 21097352
EC Number: 173-441-0

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 47.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 210

Physicochemical properties

Boiling point: 354.525 · 354.525±27.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 2.473 · 2.473±0.10(predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.