2-Methoxy-5-(pyrid-3-ylhydroxymethyl)pyridine

HCID 19851778

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(O)c2cccnc2)cn1
InChIKey: QJFBNUSZQSSSJO-UHFFFAOYSA-N
Molecular formula: C12H12N2O2
Average molar mass: 216.24 g/mol

Names & identifiers

Preferred name: 2-Methoxy-5-(pyrid-3-ylhydroxymethyl)pyridine
IUPAC: (6-methoxy-3-pyridinyl)-pyridin-3-ylmethanol

Names & synonyms

112860-35-23-Pyridinemethanol, 6-methoxy-alpha-3-pyridinyl-SCHEMBL10365248QJFBNUSZQSSSJO-UHFFFAOYSA-N2-Methoxy-5-(pyrid-3-ylhydroxymethyl)pyridine6-Methoxy-alpha-3-pyridinyl-3-pyridinemethanol

Database identifiers

PubChem CID: 19851778

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 55.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 213

Related reactions

3 records

New reaction record

HRID 34912As productuspto-grants-1988_08

HRID 1118218As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1607030As productuspto-grants-1989_09

Compound notes

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