6-Chloropyrazolo[1,5-a]pyridine-3-carboxylic acid
Basic information
- CAS
1167055-29-9- Standard SMILES
O=C(O)c1cnn2cc(Cl)ccc12- InChIKey
YLAZZSDUXQKRDN-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O2
- Average molar mass
- 196.59 g/mol
- Monoisotopic mass
- 196.0039551
Names & identifiers
- Preferred name
- 6-Chloropyrazolo[1,5-a]pyridine-3-carboxylic acid
- IUPAC
- 6-chloropyrazolo[1,5-a]pyridine-3-carboxylic acid
- English name
- 6-chloroH-pyrazolo[1,5-a]pyridine-3-carboxylic acid
- Molecular formula
- C8H5ClN2O2
- Molecular weight
- 196.59
Names & synonyms
6-Chloropyrazolo[1,5-a]pyridine-3-carboxylic acid1167055-29-9MFCD124051246-Chloro-pyrazolo[1,5-a]pyridine-3-carboxylic acid6-Chloropyrazolo[1,5-a]pyridine-3-carboxylicacidPyrazolo[1,5-a]pyridine-3-carboxylic acid, 6-chloro-SCHEMBL24369876SB30968A893532DTXSID00694645Pyrazolo[1,5-a]pyridine-3-carboAKOS016011982
Show more names
6-Chloropyrazolo[1,5-a]pyridin-3-carboxylic acid6-Chloro pyrazolo[1,5-a]pyridine-3-carboxylic acid6-chloroH-pyrazolo[1,5-a]pyridine-3-carboxylic acid
DS-6760SY116354DB-333509CS-0043057F320507
Database identifiers
- CAS
1167055-29-9- PubChem CID
- 53399593
- DTXSID
DTXSID00694645
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -1.02 · -1.02±0.41(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H5ClN2O2/c9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h1-4H,(H,12,13)
- InChIKey
- YLAZZSDUXQKRDN-UHFFFAOYSA-N
- SMILES
- C12=C(C(O)=O)C=NN1C=C(Cl)C=C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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