Imidazo(1,2-a)pyridine-3-carboxylic acid
Basic information
- CAS
6200-60-8- Standard SMILES
O=C(O)c1cnc2ccccn12- InChIKey
DOGXPDFZEQXZDS-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- Imidazo(1,2-a)pyridine-3-carboxylic acid
- IUPAC
- imidazo[1,2-a]pyridine-3-carboxylic acid
- English name
- Imidazo[1,2-a]pyridine-3-carboxylic acid
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
Imidazo[1,2-a]pyridine-3-carboxylic acid6200-60-8Imidazo(1,2-a)pyridine-3-carboxylic acidBRN 0608485NSC 305198DTXSID00211053RefChem:147964DTXCID00133544800-776-8MFCD01720458NSC305198NSC-305198
Show more names
EOS-613183-Carboxyimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-3-carboxylicacid97%H-imidazo[1,2-a]pyridine-3-carboxylic acidImidazo[1,2-a]pyridine-3-carboxylic acid 97%imidazo[1,2-a]pyridine-3-carboxylic acid - [K24583]
WLN: T56 AN DNJ BVQNSC-305199AB09861AC-7120Z1201621330Imidazo[1,2-a]pyridine-3-carboxylicacidA23462SG4R7HE86J
Database identifiers
- CAS
6200-60-8- PubChem CID
- 73142
- DTXSID
DTXSID00211053- UNII
- SG4R7HE86J
- EC Number
- 800-776-8
- Nikkaji
- J40.952I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 196 °C · 196 °C
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- -0.61 · -0.61±0.41(Predicted)
- color
- Pale yellow
- InChI
- InChI=1S/C8H6N2O2/c11-8(12)6-5-9-7-3-1-2-4-10(6)7/h1-5H,(H,11,12)
- InChIKey
- DOGXPDFZEQXZDS-UHFFFAOYSA-N
- SMILES
- C12=NC=C(C(O)=O)N1C=CC=C2
- CAS DataBase Reference
- 6200 · 6200-60-8
- FDA UNII
- 4 R7HE86J · SG4R7HE86J
- Comptox DTXSID
- 211053 · DTXSID00211053
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Irritant
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2933990099
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
52 records
Compound notes
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