N-methoxypyridine-4-carboximidoyl cyanide

C8H7N3O — CID 54520311

IUPACN-methoxypyridine-4-carboximidoyl cyanide
SMILESCON=C(C#N)c1ccncc1
InChIInChI=1S/C8H7N3O/c1-12-11-8(6-9)7-2-4-10-5-3-7/h2-5H,1H3
InChIKeyYPIQIBWJVKICFG-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.96
Rot. Bonds2

About N-methoxypyridine-4-carboximidoyl cyanide

N-methoxypyridine-4-carboximidoyl cyanide (PubChem CID 54520311) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is N-methoxypyridine-4-carboximidoyl cyanide.

Molecular Properties

Compound NameN-methoxypyridine-4-carboximidoyl cyanide
PubChem CID54520311
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC NameN-methoxypyridine-4-carboximidoyl cyanide
SMILESCON=C(C#N)c1ccncc1
InChIInChI=1S/C8H7N3O/c1-12-11-8(6-9)7-2-4-10-5-3-7/h2-5H,1H3
InChIKeyYPIQIBWJVKICFG-UHFFFAOYSA-N
XLogP0.96
TPSA58.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxypyridine-4-carboximidoyl cyanide?
The IUPAC name of N-methoxypyridine-4-carboximidoyl cyanide (CID 54520311) is N-methoxypyridine-4-carboximidoyl cyanide.
What is the SMILES notation for N-methoxypyridine-4-carboximidoyl cyanide?
The canonical SMILES for N-methoxypyridine-4-carboximidoyl cyanide is CON=C(C#N)c1ccncc1.
What is the InChIKey of N-methoxypyridine-4-carboximidoyl cyanide?
The InChIKey is YPIQIBWJVKICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-12-11-8(6-9)7-2-4-10-5-3-7/h2-5H,1H3.
What are the key properties of N-methoxypyridine-4-carboximidoyl cyanide?
N-methoxypyridine-4-carboximidoyl cyanide has a molecular weight of 161.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypyridine-4-carboximidoyl cyanide is sourced from PubChem (CID 54520311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).