Basic information
- CAS
20737-42-2- Standard SMILES
O=C(O)c1ncc[nH]c1=O- InChIKey
FJZRUSFQHBBTCC-UHFFFAOYSA-N- Molecular formula
- C5H4N2O3
- Average molar mass
- 140.1 g/mol
- Monoisotopic mass
- 140.02219199
Names & identifiers
- Preferred name
- 3-Hydroxypyrazine-2-carboxylic acid
- IUPAC
- 2-oxo-1H-pyrazine-3-carboxylic acid
- English name
- 2-Hydroxy-3-pyrazinecarboxylic acid
- Molecular formula
- C5H4N2O3
- Molecular weight
- 140.1
Names & synonyms
3-hydroxypyrazine-2-carboxylic acid20737-42-2DTXSID60340595RefChem:279977DTXCID80291676805-398-73-oxo-3,4-dihydropyrazine-2-carboxylic acid2-Hydroxy-3-pyrazinecarboxylic acid2-oxo-1H-pyrazine-3-carboxylic acid3-Hydroxy-2-pyrazinecarboxylic acidMFCD002351362-Pyrazinecarboxylic acid, 3,4-dihydro-3-oxo-
Show more names
2-Carboxy-3-hydroxypyrazine3-Hydroxypyrazine-2-carbo...2-oxo-1H-pyrazine-3-carboxylicaci3-hydroxy-2-piperazinecarboxylic acid3-HYDROXY-PIPERAZINE-2-CARBOXYLIC ACID
3-Hydroxypyrazinecarboxylic acidPyrazinecaPyrazinecarboxylic acid, 3,4-dihydro-3-oxo-SCHEMBL163385SCHEMBL354188SCHEMBL1850049CHEMBL5206365AB2876
Database identifiers
- CAS
20737-42-2- PubChem CID
- 565962
- DTXSID
DTXSID60340595- ChEMBL
CHEMBL5206365- EC Number
- 805-398-7
- Nikkaji
- J1.258.846A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.72 · 12.72±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C5H4N2O3/c8-4-3(5(9)10)6-1-2-7-4/h1-2H,(H,7,8)(H,9,10)
- InChIKey
- FJZRUSFQHBBTCC-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=CNC1=O
- CAS DataBase Reference
- 20737 · 20737-42-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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 3 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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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