1H-Indole, 3-(3-pyridinylmethyl)-
Basic information
- CAS
5275-04-7- Standard SMILES
c1cncc(Cc2c[nH]c3ccccc23)c1- InChIKey
ORBYFAFBEOHNKJ-UHFFFAOYSA-N- Molecular formula
- C14H12N2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.10004839
Names & identifiers
- Preferred name
- 1H-Indole, 3-(3-pyridinylmethyl)-
- IUPAC
- 3-(pyridin-3-ylmethyl)-1H-indole
- English name
- 3-(3-Pyridinylmethyl)-1H-indole
- Molecular formula
- C14H12N2
- Molecular weight
- 208.26
Names & synonyms
5275-04-7ICIG 8793-(3-Pyridinylmethyl)-1H-indolebeta-(3'-Indolyl)methylpyridine1H-INDOLE, 3-(3-PYRIDINYLMETHYL)-BRN 0745202DTXSID302007335-23-08-00523 (Beilstein Handbook Reference)RefChem:238787DTXCID601232243-(pyridin-3-ylmethyl)-1H-indole3-Pyridin-3-ylmethyl-1H-indole
Show more names
ICIG-879
3-(3-pyridylmethyl)indole3-[(pyridin-3-yl)methyl]-1H-indoleSCHEMBL58709153-(3-pyridylmethyl)-1H-indoleORBYFAFBEOHNKJ-UHFFFAOYSA-NSBB075994AKOS015941286DB-294478
Database identifiers
- CAS
5275-04-7- PubChem CID
- 21345
- DTXSID
DTXSID30200733- Nikkaji
- J64.797G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 159 · 159-160 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2))
- Boiling point
- 413.2 · 413.2±25.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 16.88 · 16.88±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 305 · P305+P351+P338
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
- Precautionary statements
- P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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