Basic information
- CAS
55042-52-9- Standard SMILES
OC(c1cccnc1)c1c[nH]c2ccccc12- InChIKey
IHNUSDFOZPAPSQ-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 3-Indolemethanol, alpha-(3-pyridyl)-
- IUPAC
- 1H-indol-3-yl(pyridin-3-yl)methanol
Names & synonyms
55042-52-93-INDOLEMETHANOL, alpha-(3-PYRIDYL)-RefChem:10680451H-Indole-3-methanol, alpha-3-pyridinyl-ICIG 780(3-Indolyl)-beta-pyridylmethanolalpha-(3-Pyridyl)-3-indolemethanolBRN 0653581(1H-Indol-3-yl)(pyridin-3-yl)methanol5-23-12-00360 (Beilstein Handbook Reference)DTXSID40970399
Database identifiers
- CAS
55042-52-9- PubChem CID
- 41308
- DTXSID
DTXSID40970399- Nikkaji
- J66.271B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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