Basic information
- CAS
7477-09-0- Standard SMILES
O=C(O)c1cnc(Br)c([N+](=O)[O-])c1- InChIKey
VXLXYUKVRAJUMP-UHFFFAOYSA-N- Molecular formula
- C6H3BrN2O4
- Average molar mass
- 247 g/mol
- Monoisotopic mass
- 245.92762
Names & identifiers
- Preferred name
- 6-Bromo-5-nitropyridine-3-carboxylic acid
- IUPAC
- 6-bromo-5-nitropyridine-3-carboxylic acid
- English name
- 6-Bromo-5-nitronicotinic acid
- Molecular formula
- C6H3BrN2O4
- Molecular weight
- 247
Names & synonyms
7477-09-06-Bromo-5-nitronicotinic acid6-bromo-5-nitropyridine-3-carboxylic acid6-bromo-5-nitro-pyridine-3-carboxylic acidNSC4046946-Bromo-5-nitronicotinicacidSCHEMBL1607840SCHEMBL1607842DTXSID30323698HAA47709NSC-404694CS-0214397
Show more names
3-Pyridinecarboxylic acid, 6-bromo-5-nitro-
EN300-177014
Database identifiers
- CAS
7477-09-0- PubChem CID
- 346458
- DTXSID
DTXSID30323698
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 367.7 · 367.7±42.0 °C(Predicted)
- Density
- 2.004 · 2.004±0.06 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.10(Predicted)
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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