1H-Pyrrolo(2,3-b)pyridine
Basic information
- CAS
10592-27-5- Standard SMILES
c1cnc2[nH]ccc2c1- InChIKey
MVXVYAKCVDQRLW-UHFFFAOYSA-N- Molecular formula
- C7H6N2
- Average molar mass
- 118.14 g/mol
- Monoisotopic mass
- 118.0530982
Overview
1H-pyrrolo[2,3-b]pyridine is a pyrrolopyridine.
Names & identifiers
- Preferred name
- 1H-Pyrrolo(2,3-b)pyridine
- IUPAC
- 1H-pyrrolo[2,3-b]pyridine
- English name
- 2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C7H8N2
- Molecular weight
- 120.15
Names & synonyms
1H-Pyrrolo[2,3-b]pyridine271-63-61,7-Diazaindene7H-Pyrrolo[2,3-b]pyridine1,7-Dideazapurine7-Aza-1-pyrindinepyrrolo[2,3-b]pyridine1H-PYRROLO(2,3-b)PYRIDINE7H-Pyrrolo(2,3-b)pyridinePyrrolo(2,3-b)pyridineQX4465NR9TNSC-67063
Show more names
2,3-Dihydro-7-azaindole7-azaindoline2,3-Dihydro-7-azaindole 98%1H,2H,3H-pyrrolo[2,3-b]pyridine2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-2,3-Dihydropyrrolo[2,3-b]pyridine, 97+%1H-Pyrrolo[2,3-b]pyridine,2,3-dihydro-(6CI,8CI,9CI)2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine 7-azaindoline2,3 DIHYDRO 1H PYRROLO[2,3 B]PYRIDINE,2,3DIHYDRO1HPYRROLO[2,3B]PYRIDINE
NSC-77951DTXSID3075046RefChem:799601H-Pyrrolo2,3-bpyridinepyrrolo(2, 3-b)pyridineDTXCID9037616205-981-07-Azaindole
Database identifiers
- CAS
10592-27-5、271-63-6- PubChem CID
- 9222
- DTXSID
DTXSID3075046- ChEMBL
CHEMBL389685- ChEBI
CHEBI:194830- UNII
- QX4465NR9T
- EC Number
- 205-981-0
- Nikkaji
- J49.676F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP1.82
Physicochemical properties
- Melting point
- 78 · 78-83 °C
- Boiling point
- 114 °C/10mmHg · 114°C/10mmHg(lit.)
- Density
- 1.23 · 1.23
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 10.75 · 10.75±0.20(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- Slightly soluble in water.
- λmax
- 306 nm · 306nm(Cyclohexane)(lit.)
- InChI
- 1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4H,3,5H2,(H,8,9)
- InChIKey
- ZFFYPGZDXUPKNK-UHFFFAOYSA-N
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 Classification
This chemical does not meet GHS hazard criteria for 71.4% (40 of 56) of all reports.
Danger
H302 (19.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1H-Pyrrolo2,3-bpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (19.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
Chemistry & industry
Applications
UsesIt can be used as pharmaceutical raw material and intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
495 records
Compound notes
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