cyano pyridine-3-carboximidate

C7H5N3O — CID 19734521

IUPACcyano pyridine-3-carboximidate
SMILES[H]/N=C(\OC#N)c1cccnc1
InChIInChI=1S/C7H5N3O/c8-5-11-7(9)6-2-1-3-10-4-6/h1-4,9H/b9-7-
InChIKeyPAERFZUWMHYRDH-CLFYSBASSA-N
MW147.14 g/mol
LogP0.90
Rot. Bonds1

About cyano pyridine-3-carboximidate

cyano pyridine-3-carboximidate (PubChem CID 19734521) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is cyano pyridine-3-carboximidate.

Molecular Properties

Compound Namecyano pyridine-3-carboximidate
PubChem CID19734521
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namecyano pyridine-3-carboximidate
SMILES[H]/N=C(\OC#N)c1cccnc1
InChIInChI=1S/C7H5N3O/c8-5-11-7(9)6-2-1-3-10-4-6/h1-4,9H/b9-7-
InChIKeyPAERFZUWMHYRDH-CLFYSBASSA-N
XLogP0.90
TPSA69.76 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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(pyridine-3-carboximidoyl)propanedinitrile
CID 7062251
propyl pyridine-3-carboximidate
CID 11819373
2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
CID 22308718
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
CID 15180171
[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate
CID 146558563
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
CID 6145439
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
CID 141168429
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
CID 19707387
CID 131854915
CID 131854915

Frequently Asked Questions

What is the IUPAC name of cyano pyridine-3-carboximidate?
The IUPAC name of cyano pyridine-3-carboximidate (CID 19734521) is cyano pyridine-3-carboximidate.
What is the SMILES notation for cyano pyridine-3-carboximidate?
The canonical SMILES for cyano pyridine-3-carboximidate is [H]/N=C(\OC#N)c1cccnc1.
What is the InChIKey of cyano pyridine-3-carboximidate?
The InChIKey is PAERFZUWMHYRDH-CLFYSBASSA-N. The full InChI is InChI=1S/C7H5N3O/c8-5-11-7(9)6-2-1-3-10-4-6/h1-4,9H/b9-7-.
What are the key properties of cyano pyridine-3-carboximidate?
cyano pyridine-3-carboximidate has a molecular weight of 147.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano pyridine-3-carboximidate is sourced from PubChem (CID 19734521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).