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2-Cyano-5-fluoro-3-(2-pyridin-2-ylethylamino)pyridine

HCID 67016844
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Basic information

Standard SMILES
N#Cc1ncc(F)cc1NCCc1ccccn1
InChIKey
HAGBPYUSPUKJSY-UHFFFAOYSA-N
Molecular formula
C13H11FN4
Average molar mass
242.25 g/mol

Names & identifiers

Preferred name
2-Cyano-5-fluoro-3-(2-pyridin-2-ylethylamino)pyridine
IUPAC
5-fluoro-3-(2-pyridin-2-ylethylamino)pyridine-2-carbonitrile

Names & synonyms

SCHEMBL1395179HAGBPYUSPUKJSY-UHFFFAOYSA-N2-cyano-5-fluoro-3-(2-pyridin-2-ylethylamino)pyridine

Database identifiers

PubChem CID
67016844

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
301

Related reactions

2 records
New reaction record
HRID 170014 reaction equation
HRID 170014As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1877517 reaction equation
HRID 1877517As productuspto-grants-2012_11

Compound notes

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