3-chloro-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
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Basic information
- CAS
1190320-29-6- Standard SMILES
O=C(O)c1cncc2[nH]cc(Cl)c12- InChIKey
VCSDOTWUEKEAFQ-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O2
- Average molar mass
- 196.59 g/mol
Names & identifiers
- Preferred name
- 3-chloro-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
- IUPAC
- 3-chloro-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
- English name
- 3-Chloro-6-azaindole-4-carboxylic acid
- Molecular formula
- C8H5ClN2O2
- Molecular weight
- 196.59
Names & synonyms
1190320-29-63-chloro-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid3-CHLORO-6-AZAINDOLE-4-CARBOXYLIC ACIDDB-240985CS-0365964I105663-chloro-1H-pyrrolo[2,3-c]pyridine-4-carboxylicacid1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 3-chloro-
Database identifiers
- CAS
1190320-29-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- storage temp.
- Store at Room Tem.
- 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
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Compound notes
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