N-(Hydroxymethyl)isonicotinamide
Basic information
- CAS
13538-44-8- Standard SMILES
O=C(NCO)c1ccncc1- InChIKey
RXYWJVBHDBOSNT-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- N-(Hydroxymethyl)isonicotinamide
- IUPAC
- N-(hydroxymethyl)pyridine-4-carboxamide
Names & synonyms
ISONICOTINAMIDE, N-(HYDROXYMETHYL)-N-(Hydroxymethyl)isonicotinamide13538-44-8QV15BV5BQ3NSC 120640BRN 01295184-Pyridinecarboxamide, N-(hydroxymethyl)-UNII-QV15BV5BQ3NSC-120640DTXSID201593274-22-00-00534 (Beilstein Handbook Reference)N-(HYDROXYMETHYL)-4-PYRIDINECARBOXAMIDE
Show more names
RefChem:202038DTXCID80818184-Pyridinecarboxamide, N-(hydroxymethyl)-(9CI)N-(hydroxymethyl)pyridine-4-carboxamideNSC120640N-hydroxymethylisonicotinamideSCHEMBL7273110SCHEMBL10917308
Database identifiers
- CAS
13538-44-8- PubChem CID
- 26097
- DTXSID
DTXSID20159327- UNII
- QV15BV5BQ3
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
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Compound notes
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