4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile

C8H9N3O — CID 90803021

IUPAC4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile
SMILESCCN(O)c1ccncc1C#N
InChIInChI=1S/C8H9N3O/c1-2-11(12)8-3-4-10-6-7(8)5-9/h3-4,6,12H,2H2,1H3
InChIKeyYODJCDVSAWFLSZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.17
Rot. Bonds2

About 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile

4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile (PubChem CID 90803021) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile
PubChem CID90803021
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile
SMILESCCN(O)c1ccncc1C#N
InChIInChI=1S/C8H9N3O/c1-2-11(12)8-3-4-10-6-7(8)5-9/h3-4,6,12H,2H2,1H3
InChIKeyYODJCDVSAWFLSZ-UHFFFAOYSA-N
XLogP1.17
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;4-methylpyridine-3-carbonitrile
CID 171848081
4-ethoxypyridine-3-carbonitrile;formic acid
CID 175946490
3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
CID 114287930
3-propoxypyridine-4-carbonitrile
CID 19432765
4-octylpyridine-3-carbonitrile
CID 102497290
4-bromopyridine-3-carbonitrile
CID 22329522
3-butan-2-yloxypyridine-4-carbonitrile
CID 19432811
4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
CID 55262869
4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile
CID 135432173
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287739
4-[4-[(3-cyano-4-pyridinyl)-[(2-methylcyclopropyl)methyl]amino]butyl-methylamino]pyridine-3-carbonitrile
CID 166246190
2-(3-cyano-4-pyridinyl)propylboronic acid
CID 143564527

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile?
The IUPAC name of 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile (CID 90803021) is 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile is CCN(O)c1ccncc1C#N.
What is the InChIKey of 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile?
The InChIKey is YODJCDVSAWFLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-11(12)8-3-4-10-6-7(8)5-9/h3-4,6,12H,2H2,1H3.
What are the key properties of 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile?
4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 90803021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).