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2- (2-Hydroxyethylamino) nicotinonitrile

CAT: 0127-OR0927Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
440102-32-9
MDL Number
MFCD06796285
Smiles
OCCNc1ncccc1C#N

Chemical Information

2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CAS Number440102-32-9
PubChem CID17860931
IUPAC Name2-(2-hydroxyethylamino)pyridine-3-carbonitrile
Molecular FormulaC8H9N3O
Molecular Weight163.18
XLogP0.8
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
C1=CC(=C(N=C1)NCCO)C#N
InChI
InChI=1S/C8H9N3O/c9-6-7-2-1-3-10-8(7)11-4-5-12/h1-3,12H,4-5H2,(H,10,11)
InChIKey
WSLQHHGQBZIPEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CAS: 440102-32-9
CID: 17860931
Formula: C8H9N3O
MW: 163.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.18
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass163.074561919
Monoisotopic Mass163.074561919
Topological Polar Surface Area68.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
413204-012- (2-Hydroxyethylamino) nicotinonitrile
FN29748-012- (Chloromethyl) nicotinonitrile
414267-012- (Isopropylamino) nicotinonitrile
414211-012- (Ethanesulfony) nicotinonitrile
sc-3402242- (cyclopentyloxy) nicotinonitrile
sc-3059072- (Butylamino) nicotinonitrile
sc-3210522- (Diethylamino) nicotinonitrile
418160-012-Hydrazino-nicotinonitrile
sc-3210222- (cyclohexylamino) nicotinonitrile
sc-2592982- (Methylamino) nicotinonitrile

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