Basic information
- CAS
79560-99-9- Standard SMILES
c1ccc(-c2cc[nH]c2)nc1- InChIKey
ATBQNMCKZCSBEC-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 2-(1H-pyrrol-3-yl)pyridine
- IUPAC
- 2-(1H-pyrrol-3-yl)pyridine
- English name
- 2-(1H-pyrrol-3-yl)Pyridine
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
2-(1H-pyrrol-3-yl)pyridine79560-99-9RefChem:451538872-949-6pyridine, 2-(1H-pyrrol-3-yl)SCHEMBL1068321SCHEMBL4986721SCHEMBL5507212SCHEMBL27971327ATBQNMCKZCSBEC-UHFFFAOYSA-NDTXSID701261674EDA56099
Show more names
AKOS006221231SB6368779561-00-5DA-02713CS-0250028EN300-490841,2-Dihydro-2-(3H-pyrrol-3-ylidene)pyridine2-(3H-Pyrrol-3-ylidene)-1,2-dihydropyridine
Database identifiers
- CAS
79560-99-9、79561-00-5- PubChem CID
- 820397
- DTXSID
DTXSID701261674- EC Number
- 872-949-6
- Nikkaji
- J1.815.693H
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 125
Physicochemical properties
- Melting point
- 43 · 43-44.5 °C
- Boiling point
- 322.8 · 322.8±25.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 15.59 · 15.59±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
11 records
Compound notes
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