2-imino-1-methanimidoylpyridine-4-carbonitrile

C7H6N4 — CID 168893725

IUPAC2-imino-1-methanimidoylpyridine-4-carbonitrile
SMILES[H]/N=C/n1ccc(C#N)c/c1=N\[H]
InChIInChI=1S/C7H6N4/c8-4-6-1-2-11(5-9)7(10)3-6/h1-3,5,9-10H/b9-5+,10-7+
InChIKeyHWHBTWFQAXPJRQ-FWMCCXIMSA-N
MW146.15 g/mol
LogP0.29
Rot. Bonds1

About 2-imino-1-methanimidoylpyridine-4-carbonitrile

2-imino-1-methanimidoylpyridine-4-carbonitrile (PubChem CID 168893725) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-imino-1-methanimidoylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-imino-1-methanimidoylpyridine-4-carbonitrile
PubChem CID168893725
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-imino-1-methanimidoylpyridine-4-carbonitrile
SMILES[H]/N=C/n1ccc(C#N)c/c1=N\[H]
InChIInChI=1S/C7H6N4/c8-4-6-1-2-11(5-9)7(10)3-6/h1-3,5,9-10H/b9-5+,10-7+
InChIKeyHWHBTWFQAXPJRQ-FWMCCXIMSA-N
XLogP0.29
TPSA76.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-imino-1-methanimidoylpyridine-4-carbonitrile?
The IUPAC name of 2-imino-1-methanimidoylpyridine-4-carbonitrile (CID 168893725) is 2-imino-1-methanimidoylpyridine-4-carbonitrile.
What is the SMILES notation for 2-imino-1-methanimidoylpyridine-4-carbonitrile?
The canonical SMILES for 2-imino-1-methanimidoylpyridine-4-carbonitrile is [H]/N=C/n1ccc(C#N)c/c1=N\[H].
What is the InChIKey of 2-imino-1-methanimidoylpyridine-4-carbonitrile?
The InChIKey is HWHBTWFQAXPJRQ-FWMCCXIMSA-N. The full InChI is InChI=1S/C7H6N4/c8-4-6-1-2-11(5-9)7(10)3-6/h1-3,5,9-10H/b9-5+,10-7+.
What are the key properties of 2-imino-1-methanimidoylpyridine-4-carbonitrile?
2-imino-1-methanimidoylpyridine-4-carbonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methanimidoylpyridine-4-carbonitrile is sourced from PubChem (CID 168893725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).