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5,6,3'-Trimethyl-[2,2']bipyridin-3-ol

HCID 136385111
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(O)c(-c2ncccc2C)nc1C
InChIKey
NBUGALYJPSBRNT-UHFFFAOYSA-N
Molecular formula
C13H14N2O
Average molar mass
214.26 g/mol

Names & identifiers

Preferred name
5,6,3'-Trimethyl-[2,2']bipyridin-3-ol
IUPAC
5,6-dimethyl-2-(3-methyl-2-pyridinyl)pyridin-3-ol

Names & synonyms

SCHEMBL3898349NBUGALYJPSBRNT-UHFFFAOYSA-N5,6,3'-trimethyl-[2,2']bipyridin-3-ol

Database identifiers

PubChem CID
136385111

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
46 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
234

Related reactions

3 records
New reaction record
HRID 229050 reaction equation
HRID 229050As productuspto-grants-2009_07
HRID 229051 reaction equation
HRID 229051As reactantuspto-grants-2009_07
HRID 687736 reaction equation
HRID 687736As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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