Basic information
- CAS
55321-99-8- Standard SMILES
NC(=O)c1ncc[nH]c1=O- InChIKey
SZPBAPFUXAADQV-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.0381764
Names & identifiers
- Preferred name
- 2-Pyrazinecarboxamide, 3,4-dihydro-3-oxo-
- IUPAC
- 2-oxo-1H-pyrazine-3-carboxamide
- English name
- 3-Hydroxypyrazine-2-carboxamide
- Molecular formula
- C5H5N3O2
- Molecular weight
- 139.11
Names & synonyms
3-Hydroxypyrazine-2-carboxamide55321-99-8Pyrazinecarboxamide, 3,4-dihydro-3-oxo-3-Hydroxy-2-pyrazinecarboxamide3,4-Dihydro-3-oxo-2-pyrazinecarboxamide5R3A375F7ANSC-1635032-Pyrazinecarboxamide, 3,4-dihydro-3-oxo-NSC 163503RefChem:483322676-589-9T-1105
Show more names
Favipiravir Impurity(3-BROMOPYRIDIN-4-...T-1105, 10 mM in DMSOFavipiravir intermediate3-Hydroxypyrazine-2-carboxamide>
2-oxo-1H-pyrazine-3-carboxamide3-Oxo-3,4-dihydropyrazine-2-carboxamideMFCD00233977Pyrazine-2-carboxamide, 3-hydroxy-NSC163503Favipiravir Impurity 30Favipiravir Desfluoro Impurity3-HYDROXYPYRAZINE-2-CARBOXAMINE
Database identifiers
- CAS
55321-99-8- PubChem CID
- 294642
- DTXSID
DTXSID10203888- ChEMBL
CHEMBL4167765- UNII
- 5R3A375F7A
- EC Number
- 676-589-9
- Nikkaji
- J2.688.932D、J3.779.007I
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 270 ℃ · ca 270℃
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Aqueous Base (Slightly)
- form
- Solid
- pka
- 10.69 · 10.69±0.40(Predicted)
- color
- Pale Brown to Brown
- λmax
- 348 nm · 348nm(lit.)
- Stability
- Hygroscopic
- InChI
- InChI=1S/C5H5N3O2/c6-4(9)3-5(10)8-2-1-7-3/h1-2H,(H2,6,9)(H,8,10)
- InChIKey
- SZPBAPFUXAADQV-UHFFFAOYSA-N
- SMILES
- C1(C(N)=O)=NC=CNC1=O
- FDA UNII
- 5 R3A375F7A · 5R3A375F7A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesApart from biological importance of pyridine-2-carboxamide (picolinamide, pia) as well as of its derivatives such as 3-hydroxypyridine-2-carboxamide (3-OHpia), as ligands they have found their extensive application in coordina- tion chemistry in crystal engineering .
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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