Basic information
- CAS
5427-90-7- Standard SMILES
Cc1ncc(C(=O)O)c(CO)c1N- InChIKey
NPAFSGMRGZLWIQ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 5-Amino-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
- IUPAC
- 5-amino-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
Names & synonyms
5427-90-75-amino-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acidNSC13135DTXSID40279551NSC 13135NSC-13135
Database identifiers
- CAS
5427-90-7- PubChem CID
- 224565
- DTXSID
DTXSID40279551
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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