Basic information
- CAS
868636-76-4- Standard SMILES
CCOC(=O)c1cc(Cl)cnc1C- InChIKey
PTFXNMXWXUGGBH-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- Ethyl 5-chloro-2-methylnicotinate
- IUPAC
- ethyl 5-chloro-2-methylpyridine-3-carboxylate
- English name
- 3-Pyridinecarboxylic acid, 5-chloro-2-Methyl-, ethyl ester
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
Ethyl 5-chloro-2-methylnicotinate868636-76-45-Chloro-2-methyl-nicotinic acid ethyl esterMFCD10698570ETHYL 5-CHLORO-2-METHYLPYRIDINE-3-CARBOXYLATEEthyl5-chloro-2-methylnicotinateSCHEMBL3981366DTXSID80694244PTFXNMXWXUGGBH-UHFFFAOYSA-NAKOS006303424AB62423DS-3642
Show more names
3-Pyridinecarboxylic acid, 5-chloro-2-Methyl-, ethyl ester
DB-368646C76833ethyl 5-chloro-2-methyl-pyridine-3-carboxylateF046976
Database identifiers
- CAS
868636-76-4- PubChem CID
- 53396281
- DTXSID
DTXSID80694244
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 251.8 · 251.8±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1.74 · 1.74±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
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]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海萃森医药科技有限公司13472757003
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海洪创医药科技有限公司18151128828 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Related reactions
3 records
Compound notes
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