Basic information
- Standard SMILES
Cc1ncc(CO)c(COCCC(C)C)c1O- InChIKey
ICCCQDLVQBRWGH-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)-2-methyl-4-[(3-methylbutoxy)methyl]pyridin-3-ol
- IUPAC
- 5-(hydroxymethyl)-2-methyl-4-(3-methylbutoxymethyl)pyridin-3-ol
Names & synonyms
4IPENTOXYMETHYLPYRIDOXOLDTXSID708773475-(hydroxymethyl)-2-methyl-4-[(3-methylbutoxy)methyl]pyridin-3-ol
Database identifiers
- PubChem CID
- 426752
- DTXSID
DTXSID70877347- Nikkaji
- J3.649.246E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
LogP0.83
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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