Basic information
- CAS
5340-88-5- Standard SMILES
CCCCOC(=O)c1ccccn1- InChIKey
HZUPDAXALKWCGX-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
Butyl pyridine-2-carboxylate is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- Butyl pyridine-2-carboxylate
- IUPAC
- butyl pyridine-2-carboxylate
- English name
- Butyl pyridine-2-carboxylate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
butyl picolinateButyl pyridine-2-carboxylate5340-88-5n-Butyl picolinateButyl 2-pyridinecarboxylateQUL7EZP9YLMFCD00023479pyridine-2-carboxylic acid butyl esterNSC-960PICOLINIC ACID, BUTYL ESTER2-Pyridinecarboxylic acid, butyl esterEINECS 226-281-1
Show more names
picolin butyl esterAvatrombopag Impurity 97Picolinic acid butyl ester2-Pyridinecarboxylic acid butyl ester
UNII-QUL7EZP9YLButyl 2-pyridinecarboxylate #SCHEMBL127796SCHEMBL128947SCHEMBL130033SCHEMBL131331NSC960SCHEMBL3405851
Database identifiers
- CAS
5340-88-5- PubChem CID
- 79285
- DTXSID
DTXSID10201566- ChEBI
CHEBI:181425- UNII
- QUL7EZP9YL
- EC Number
- 226-281-1
- Nikkaji
- J149.796K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- FDA UNII
- 7 EZP9YL · QUL7EZP9YL
Chemistry & industry
Suppliers9 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南京唯博特医药科技有限公司18066048793 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: Butyl pyridine-2-carboxylate is a member of pyridines and an aromatic carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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