Basic information
- CAS
62616-12-0- Standard SMILES
O=c1cc(Cl)cc(O)[nH]1- InChIKey
FXXCUCHTCFFAGU-UHFFFAOYSA-N- Molecular formula
- C5H4ClNO2
- Average molar mass
- 145.54 g/mol
- Monoisotopic mass
- 144.9930561
Names & identifiers
- Preferred name
- 4-Chloropyridine-2,6-diol
- IUPAC
- 4-chloro-6-hydroxy-1H-pyridin-2-one
- English name
- 2(1H)-Pyridinone, 4-chloro-6-hydroxy-
- Molecular formula
- C5H4ClNO2
- Molecular weight
- 145.54
Names & synonyms
4-Chloropyridine-2,6-diol62616-12-04-Chloro-6-hydroxypyridin-2(1H)-one4-chloro-6-hydroxy-1H-pyridin-2-one1823272-62-3DTXSID10416057InChI=1/C5H4ClNO2/c6-3-1-4(8)7-5(9)2-3/h1-2H,(H2,7,8,92(1H)-Pyridinone, 4-chloro-6-hydroxy-
Database identifiers
- CAS
62616-12-0- PubChem CID
- 5325841
- DTXSID
DTXSID10416057
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 224 °C · 224 °C (decomp)
- Boiling point
- 297.6 · 297.6±40.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 3.61 · 3.61±0.58(Predicted)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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