Basic information
- CAS
59288-38-9- Standard SMILES
CCOC(=O)c1cncc(O)c1- InChIKey
LFDNUOROKFFJLE-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- Ethyl 5-hydroxynicotinate
- IUPAC
- ethyl 5-hydroxypyridine-3-carboxylate
- English name
- Ethyl 5-hydroxynicotinate
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
ethyl 5-hydroxynicotinate59288-38-9DTXSID30358682RefChem:344379DTXCID50309737ethyl 5-hydroxypyridine-3-carboxylate5-Hydroxy-nicotinic acid ethyl esterEthyl 5-hydroxy-3-pyridinecarboxylate3-Pyridinecarboxylic acid, 5-hydroxy-, ethyl esterMFCD00510027HMS2747I03AKOS005458450
Show more names
3-(Ethoxycarbonyl)-5-hydroxypyridine5-Hydroxypyridine-3-carboxylic acid ethyl esterEthyl 5-hydroxypyridine-3-carboxylate, 3-(Ethoxycarbonyl)-5-hydroxypyridine
Ethyl 3-hydroxy-5-pyridinecarboxylate5-hydroxy-3-pyridinecarboxylic acid ethyl esterOprea1_153880ethyl 5-oxidanylpyridine-3-cMLS000777702SCHEMBL1812268CHEMBL1867182LFDNUOROKFFJLE-UHFFFAOYSA-N
Database identifiers
- CAS
59288-38-9- PubChem CID
- 910016
- DTXSID
DTXSID30358682- ChEMBL
CHEMBL1867182
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
Solubility>25.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 375.4 · 375.4±22.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.48 · 8.48±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3
- InChIKey
- LFDNUOROKFFJLE-UHFFFAOYSA-N
- SMILES
- C1=NC=C(O)C=C1C(OCC)=O
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety data
- hs_code
- 29339900
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-37/39
- Hazard statements
- H314-H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers59 total
上海康恩博医药科技有限公司17510465506 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Related reactions
7 records
Compound notes
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