Basic information
- CAS
64951-08-2- Standard SMILES
O=C([O-])c1cn2ccccc2n1- InChIKey
WQLJLPDGSLZYEP-UHFFFAOYSA-M- Molecular formula
- C8H5N2O2-
- Average molar mass
- 161.14 g/mol
- Monoisotopic mass
- 161.03510241
Names & identifiers
- Preferred name
- Imidazo[1,2-a]pyridine-2-carboxylate
- IUPAC
- imidazo[1,2-a]pyridine-2-carboxylate
- English name
- Imidazo[1,2-a]pyridine-2-carboxylic acid
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
imidazo[1,2-a]pyridine-2-carboxylateDTXSID90983510WQLJLPDGSLZYEP-UHFFFAOYSA-MMFCD13188642Compound Fr13959AKOS BBS-00006401TIMTEC-BB SBB010195CHEMBRDG-BB 4401038ASINEX-REAG BAS 06100978Minodronic Acid Impurity 252-Carboxyimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-2-carboxylic acid
Show more names
H-imidazo[1,2-a]pyridine-2-carboxylic acid
Database identifiers
- CAS
64951-08-2- PubChem CID
- 7018384
- DTXSID
DTXSID90983510
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 190
Physicochemical properties
- Melting point
- 232 · 232-234℃
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- pka
- -4.33 · -4.33±0.41(Predicted)
- color
- White to off-white
- InChI
- 1S/C8H6N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-5H,(H,11,12)
- InChIKey
- WQLJLPDGSLZYEP-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cn2ccccc2n1
- CAS DataBase Reference
- 64951 · 64951-08-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-22
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesImidazo[1,2-a]pyridine-2-carboxylic acid is an important 2-carboxylic acid derivative of the imidazo[1,2-a]pyridine fused heterocycle. It is primarily used as a key synthetic intermediate. Its carboxylic acid and carboxylate forms can be derivatised via reactive ester coupling, reduction and other methods, and are used to construct Mur ligase inhibitors for antimicrobial applications, as well as drug molecules such as the anti-anxiety agents saripidem and necopidem [5].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
1 records
Compound notes
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