3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine
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Basic information
- CAS
201537-87-3- Standard SMILES
ClCc1c[nH]c2ncccc12- InChIKey
NFYZWYAOVLGLEI-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine
- English name
- 3-b]pyridine
- Molecular formula
- C8H7ClN2
- Molecular weight
- 166.61
Names & synonyms
3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine201537-87-31H-Pyrrolo[2,3-b]pyridine, 3-(chloromethyl)-SCHEMBL7668337AKOS006375056SB10290H37244EN300-19659003-(chloroMethyl)-1H-pyrrolo[2
Database identifiers
- CAS
201537-87-3- PubChem CID
- 55298496
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 386.7 · 386.7±34.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 7.18 · 7.18±0.20(Predicted)
- 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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