Basic information
- CAS
1052714-14-3- Standard SMILES
Nc1cc(F)c(Br)nc1C(=O)O- InChIKey
XJCGNMVYWONXCU-UHFFFAOYSA-N- Molecular formula
- C6H4BrFN2O2
- Average molar mass
- 235.01 g/mol
- Monoisotopic mass
- 233.94402
Names & identifiers
- Preferred name
- 3-Amino-6-bromo-5-fluoropicolinic acid
- IUPAC
- 3-amino-6-bromo-5-fluoropyridine-2-carboxylic acid
- English name
- 3-AMino-6-broMo-5-fluoro-2-pyridinecarboxylic acid
- Molecular formula
- C6H4BrFN2O2
- Molecular weight
- 235.01
Names & synonyms
3-AMINO-6-BROMO-5-FLUOROPICOLINIC ACID1052714-14-33-amino-6-bromo-5-fluoropyridine-2-carboxylic acidSCHEMBL1711471SCHEMBL30668036XJCGNMVYWONXCU-UHFFFAOYSA-NDTXSID701227135MFCD182586293-amino-6-bromo-5-fluoro-picolinic acidDS-0011113-AMINO-6-BROMO-5-FLUOROPICOLINICACID3-Amino-6-bromo-5-fluoro-2-pyridinecarboxylic acid
Show more names
2-Pyridinecarboxylic acid, 3-amino-6-bromo-5-fluoro-
3-Amino-6-bromo-5-fluoro-pyridine-2-carboxylic Acid
Database identifiers
- CAS
1052714-14-3- PubChem CID
- 72698879
- DTXSID
DTXSID701227135
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 393.2 · 393.2±42.0 °C(Predicted)
- Density
- 1.993 · 1.993±0.06 g/cm3(Predicted)
- pka
- 3.93 · 3.93±0.10(Predicted)
Chemistry & industry
Suppliers6 total
上海遐瑞医药科技有限公司+86 21 61551611
武汉翱飞科技有限公司15841022315 · [email protected]
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苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
Related reactions
8 records
Compound notes
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