2-[(2-Chloro-5-ethylpyridine-3-yl)(hydroxy)methyl]acrylonitrile

HCID 44405352
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Basic information

Standard SMILES
C=C(C#N)C(O)c1cc(CC)cnc1Cl
InChIKey
KTILHWUZCZYCFX-UHFFFAOYSA-N
Molecular formula
C11H11ClN2O
Average molar mass
222.67 g/mol
Monoisotopic mass
222.0559907

Names & identifiers

Preferred name
2-[(2-Chloro-5-ethylpyridine-3-yl)(hydroxy)methyl]acrylonitrile
IUPAC
2-[(2-chloro-5-ethyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile

Names & synonyms

CHEMBL200330SCHEMBL2851592KTILHWUZCZYCFX-UHFFFAOYSA-N2-[(2-Chloro-5-ethyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile2-[(2-Chloro-5-ethylpyridine-3-yl)(hydroxy)methyl]acrylonitrile

Database identifiers

PubChem CID
44405352
ChEMBL
CHEMBL200330

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
56.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

2 records
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Compound notes

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