3-Isopropylpicolinaldehyde
Basic information
- CAS
780800-74-0- Standard SMILES
CC(C)c1cccnc1C=O- InChIKey
IDULKRZSZVQVJN-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 3-Isopropylpicolinaldehyde
- IUPAC
- 3-propan-2-ylpyridine-2-carbaldehyde
- English name
- 2-Pyridinecarboxaldehyde, 3-(1-methylethyl)- (9CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
3-ISOPROPYLPICOLINALDEHYDE780800-74-03-propan-2-ylpyridine-2-carbaldehyde3-(PROPAN-2-YL)PYRIDINE-2-CARBALDEHYDESCHEMBL2082260IDULKRZSZVQVJN-UHFFFAOYSA-NDTXSID3012650123-isopropyl-pyridine-2-carbaldehydeGS24083 -isopropyl-pyridine-2-carbaldehyde3-isopropyl-pyridine-2-carboxaldehydeAB65916
Show more names
2-Pyridinecarboxaldehyde, 3-(1-methylethyl)-2-Pyridinecarboxaldehyde, 3-(1-methylethyl)- (9CI)
AT24574DB-1056263-(1-METHYLETHYL)-2-PYRIDINECARBOXALDEHYDE
Database identifiers
- CAS
780800-74-0- PubChem CID
- 45083635
- DTXSID
DTXSID301265012
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
20 records
Compound notes
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