Basic information
- CAS
98664-63-2- Standard SMILES
CCc1cncc(C=O)c1- InChIKey
BCAZDFGRWQVGFI-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 5-Ethylnicotinaldehyde
- IUPAC
- 5-ethylpyridine-3-carbaldehyde
- English name
- 3-Pyridinecarboxaldehyde,5-ethyl-(9CI)
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
5-ethylnicotinaldehyde98664-63-25-ETHYLPYRIDINE-3-CARBALDEHYDE5-ETHYL-3-PYRIDINECARBOXALDEHYDE3-ethyl-5-formylpyridineSCHEMBL4906652SCHEMBL29955560BCAZDFGRWQVGFI-UHFFFAOYSA-NEN300-716044Z12553823213-Pyridinecarboxaldehyde, 5-ethyl-3-Pyridinecarboxaldehyde,5-ethyl-(9CI)
Database identifiers
- CAS
98664-63-2- PubChem CID
- 45080046
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 245.7 · 245.7±28.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.20(Predicted)
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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