Indole, 3-(2-pyridylmethyl)-
Basic information
- CAS
5580-44-9- Standard SMILES
c1ccc(Cc2c[nH]c3ccccc23)nc1- InChIKey
REMGZSGXONUDEF-UHFFFAOYSA-N- Molecular formula
- C14H12N2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.10004839
Names & identifiers
- Preferred name
- Indole, 3-(2-pyridylmethyl)-
- IUPAC
- 3-(pyridin-2-ylmethyl)-1H-indole
Names & synonyms
3-(2-Pyridylmethyl)indoleINDOLE, 3-(2-PYRIDYLMETHYL)-5580-44-9BRN 01608983-[(pyridin-2-yl)methyl]-1H-indoleSCHEMBL735576SCHEMBL317447583-Pyridin-2-ylmethyl-1H-indoleDTXSID60204385REMGZSGXONUDEF-UHFFFAOYSA-N
Database identifiers
- CAS
5580-44-9- PubChem CID
- 21756
- DTXSID
DTXSID60204385- Nikkaji
- J3.198.095J
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
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Related reactions
2 records
Compound notes
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