(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile

C7H5N3O — CID 15180171

IUPAC(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
SMILESN#C/C(=N\O)c1cccnc1
InChIInChI=1S/C7H5N3O/c8-4-7(10-11)6-2-1-3-9-5-6/h1-3,5,11H/b10-7+
InChIKeyRQXUXVWKNZMBAA-JXMROGBWSA-N
MW147.14 g/mol
LogP0.78
Rot. Bonds1

About (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile

(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile (PubChem CID 15180171) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
PubChem CID15180171
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
SMILESN#C/C(=N\O)c1cccnc1
InChIInChI=1S/C7H5N3O/c8-4-7(10-11)6-2-1-3-9-5-6/h1-3,5,11H/b10-7+
InChIKeyRQXUXVWKNZMBAA-JXMROGBWSA-N
XLogP0.78
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137097951
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
CID 6145439
2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
CID 22308718
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
CID 19707387
cyano pyridine-3-carboximidate
CID 19734521
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-3-ylprop-2-enenitrile
CID 80523437
(NZ)-N-(6-amino-1-pyridin-3-ylhexylidene)hydroxylamine
CID 16740760
2-(pyridine-3-carboximidoyl)propanedinitrile
CID 7062251

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile?
The IUPAC name of (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile (CID 15180171) is (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile?
The canonical SMILES for (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile is N#C/C(=N\O)c1cccnc1.
What is the InChIKey of (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile?
The InChIKey is RQXUXVWKNZMBAA-JXMROGBWSA-N. The full InChI is InChI=1S/C7H5N3O/c8-4-7(10-11)6-2-1-3-9-5-6/h1-3,5,11H/b10-7+.
What are the key properties of (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile?
(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile has a molecular weight of 147.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 15180171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).