5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
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Basic information
- CAS
1190322-32-7- Standard SMILES
COc1cnc2[nH]ccc2c1C(=O)O- InChIKey
KVBGCFHCPOVTAV-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
Names & identifiers
- Preferred name
- 5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
- IUPAC
- 5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
- English name
- 5-Methoxy-7-azaindole-4-carboxylic acid
- Molecular formula
- C9H8N2O3
- Molecular weight
- 192.17
Names & synonyms
5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid1190322-32-7MFCD129628821H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-methoxy-SB14283AS-80016CS-0324831P203345-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylicacid5-METHOXY-7-AZAINDOLE-4-CARBOXYLIC ACIDF7255735-methoxy-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxylic acid
Database identifiers
- CAS
1190322-32-7
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 1.06 · 1.06±0.10(Predicted)
- Appearance
- off-white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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