3-cyanopyridine-2-carboximidamide

C7H6N4 — CID 53485114

IUPAC3-cyanopyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1C#N
InChIInChI=1S/C7H6N4/c8-4-5-2-1-3-11-6(5)7(9)10/h1-3H,(H3,9,10)
InChIKeyVIELCQMPNJLDFM-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.24
Rot. Bonds1

About 3-cyanopyridine-2-carboximidamide

3-cyanopyridine-2-carboximidamide (PubChem CID 53485114) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-cyanopyridine-2-carboximidamide.

Molecular Properties

Compound Name3-cyanopyridine-2-carboximidamide
PubChem CID53485114
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name3-cyanopyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1C#N
InChIInChI=1S/C7H6N4/c8-4-5-2-1-3-11-6(5)7(9)10/h1-3H,(H3,9,10)
InChIKeyVIELCQMPNJLDFM-UHFFFAOYSA-N
XLogP0.24
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyanopyridine-2-carboximidamide?
The IUPAC name of 3-cyanopyridine-2-carboximidamide (CID 53485114) is 3-cyanopyridine-2-carboximidamide.
What is the SMILES notation for 3-cyanopyridine-2-carboximidamide?
The canonical SMILES for 3-cyanopyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1C#N.
What is the InChIKey of 3-cyanopyridine-2-carboximidamide?
The InChIKey is VIELCQMPNJLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c8-4-5-2-1-3-11-6(5)7(9)10/h1-3H,(H3,9,10).
What are the key properties of 3-cyanopyridine-2-carboximidamide?
3-cyanopyridine-2-carboximidamide has a molecular weight of 146.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanopyridine-2-carboximidamide is sourced from PubChem (CID 53485114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).