2,7-Dimethylimidazo(1,2-a)pyridine-3-carboxylic acid
Basic information
- CAS
81438-53-1- Standard SMILES
Cc1ccn2c(C(=O)O)c(C)nc2c1- InChIKey
BDKHWMQAUGGNAQ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,7-Dimethylimidazo(1,2-a)pyridine-3-carboxylic acid
- IUPAC
- 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
- English name
- 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid(SALTDATA: FREE)
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid81438-53-1DTXSID103712332,7-Dimethylimidazo(1,2-a)pyridine-3-carboxylic acidRefChem:83432DTXCID30322267MFCD00139513Bionet2_000266HMS1364M02Oprea1_474904SCHEMBL1768162BDKHWMQAUGGNAQ-UHFFFAOYSA-N
Show more names
3-Carboxy-2,7-dimethylimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-3-carboxylic acid, 2,7-dimethyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid(SALTDATA2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid(SALTDATA: FREE)
CCG-56507SBB053544STK519633AKOS000111432SY289574DB-024515CS-004763010D-582
Database identifiers
- CAS
81438-53-1- PubChem CID
- 2736254
- DTXSID
DTXSID10371233
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.53 · -0.53±0.41(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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