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Cyano[6-(3-fluorophenoxy)-2-pyridyl]methanol

HCID 12879153
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(O)c1cccc(Oc2cccc(F)c2)n1
InChIKey
VXQADQZFJJNZIJ-UHFFFAOYSA-N
Molecular formula
C13H9FN2O2
Average molar mass
244.22 g/mol

Names & identifiers

Preferred name
Cyano[6-(3-fluorophenoxy)-2-pyridyl]methanol
IUPAC
2-[6-(3-fluorophenoxy)-2-pyridinyl]-2-hydroxyacetonitrile

Names & synonyms

SCHEMBL11174821VXQADQZFJJNZIJ-UHFFFAOYSA-Ncyano[6-(3-fluorophenoxy)-2-pyridyl]methanol

Database identifiers

PubChem CID
12879153

Properties

Computed structural properties

XLogP
2
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
317

Related reactions

2 records
New reaction record
HRID 115456 reaction equation
HRID 115456As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 903169 reaction equation
HRID 903169As reactantuspto-grants-1980_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes