3-Pyridinecarboxamide, 5-hydroxy-
Basic information
- CAS
101512-21-4- Standard SMILES
NC(=O)c1cncc(O)c1- InChIKey
UIJCDEKRKCCYIF-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292743
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, 5-hydroxy-
- IUPAC
- 5-hydroxypyridine-3-carboxamide
- English name
- 3-Pyridinecarboxamide,5-hydroxy-(9CI)
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12
Names & synonyms
5-Hydroxynicotinamide101512-21-45-hydroxypyridine-3-carboxamide3-Pyridinecarboxamide, 5-hydroxy-BRN 5499772DTXSID30143974RefChem:505174DTXCID9066465817-037-0MFCD011992013-PYRIDINECARBOXAMIDE,5-HYDROXY-(9CI)5-hydroxy-3-pyridinecarboxamide
Show more names
5-hydroxyamide5-hydroxynicotinamide(SALTDATA: FREE)
5-Hydroxynicotinic acid amide5-Carbamoylpyridinium-3-olate5-HydroxynicotinsaureamidOprea1_770429SCHEMBL4588715-Hydroxypyridin-3-carboxamideSCHEMBL2645556UIJCDEKRKCCYIF-UHFFFAOYSA-N
Database identifiers
- CAS
101512-21-4- PubChem CID
- 354313
- DTXSID
DTXSID30143974- EC Number
- 817-037-0
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 222 · 222-224 °C
- Boiling point
- 479.3 · 479.3±30.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 8.54 · 8.54±0.10(Predicted)
- InChI
- InChI=1S/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10)
- InChIKey
- UIJCDEKRKCCYIF-UHFFFAOYSA-N
- SMILES
- C1=NC=C(O)C=C1C(N)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-Pyridinecarboxamide,5-hydroxy-(9CI) is mainly used as a synthetic intermediate in the fields of medicine and pesticides to prepare active compounds containing pyridine rings, and can also be used as a raw material for fine chemical production.
Related reactions
2 records
Compound notes
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