Basic information
- CAS
6966-01-4- Standard SMILES
COC(=O)c1nc(Br)cnc1N- InChIKey
CNXSIRHOIFRMOB-UHFFFAOYSA-N- Molecular formula
- C6H6BrN3O2
- Average molar mass
- 232.03 g/mol
- Monoisotopic mass
- 230.96433853
Names & identifiers
- Preferred name
- Methyl 3-Amino-6-bromopyrazine-2-carboxylate
- IUPAC
- methyl 3-amino-6-bromopyrazine-2-carboxylate
- English name
- Methyl 3-amino-6-bromopyrazine-2-carboxylate
- Molecular formula
- C6H6BrN3O2
- Molecular weight
- 232.03
Names & synonyms
methyl 3-amino-6-bromopyrazine-2-carboxylateDTXSID90280793RefChem:815233DTXCID90231947687-153-26966-01-4MFCD008349642-AMINO-5-BROMOPYRAZINE-3-CARBOXYLIC ACID METHYL ESTERNSC18700Methyl 3-Amino-6-Bromopyrazine-2-Carboxylic EsterPyrazinecarboxylic acid, 3-amino-6-bromo-, methyl estermethyl 3-amino-6-bromo-2-pyrazinecarboxylate
Show more names
NSC 18700C6H6BrN3O2-6966-01-4Favipiravir Impurity 24Favipiravir Impurity 173-AMINO-6-BROMOPYRAZINE-2-CARBOXYLATEMethyl 3-amino-6-bromopyrazine-2-formate2-Amino-5-bromo-3-(methoxycarbonyl)pyrazineMethyl 6-BroMo-3-aMinopyrazine-2-carboxylate
3-AMINO-6-BROMOPYRAZINE-2-CARBOXYLIC ACID METHYL ESTERmethyl 3-amino-6-bromo-pyrazine-2-carboxylate2-amino-3-methoxycarbonyl-5-bromopyrazineEN300-1996763-Amino-6-bromo-pyrazine-2-carboxylic acid methyl esterMethyl3-amino-6-bromopyrazine-2-carboxylateAM20070383methyl 6-bromo-3-amino-2-pyrazinecarboxylate
Database identifiers
- CAS
6966-01-4- PubChem CID
- 227251
- DTXSID
DTXSID90280793- EC Number
- 687-153-2
- Nikkaji
- J384.897C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 164 · 164-166C
- Boiling point
- 322.4 · 322.4±37.0 °C(Predicted)
- Density
- 1.754 · 1.754±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Chloroform, Ethyl Acetate, Methanol
- pka
- -1.74 · -1.74±0.10(Predicted)
- form
- Solid
- color
- Off-white to yellow
- InChI
- InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
- InChIKey
- CNXSIRHOIFRMOB-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NC(Br)=CN=C1N
- CAS DataBase Reference
- 6966 · 6966-01-4
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 37 · 37
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (93%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933998090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesPyrazine derivatives as Axl and C-Met receptor enzyme inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
101 records
Compound notes
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