2-imino-1-methylpyridine-3-carbonitrile;hydroiodide

C7H8IN3 — CID 90654290

IUPAC2-imino-1-methylpyridine-3-carbonitrile;hydroiodide
SMILESI.[H]/N=c1\c(C#N)cccn1C
InChIInChI=1S/C7H7N3.HI/c1-10-4-2-3-6(5-8)7(10)9;/h2-4,9H,1H3;1H/b9-7+;
InChIKeyLKNIISCXTVFQBT-BXTVWIJMSA-N
MW261.07 g/mol
LogP0.99
Rot. Bonds

About 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide

2-imino-1-methylpyridine-3-carbonitrile;hydroiodide (PubChem CID 90654290) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide.

Molecular Properties

Compound Name2-imino-1-methylpyridine-3-carbonitrile;hydroiodide
PubChem CID90654290
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC Name2-imino-1-methylpyridine-3-carbonitrile;hydroiodide
SMILESI.[H]/N=c1\c(C#N)cccn1C
InChIInChI=1S/C7H7N3.HI/c1-10-4-2-3-6(5-8)7(10)9;/h2-4,9H,1H3;1H/b9-7+;
InChIKeyLKNIISCXTVFQBT-BXTVWIJMSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide?
The IUPAC name of 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide (CID 90654290) is 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide.
What is the SMILES notation for 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide?
The canonical SMILES for 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide is I.[H]/N=c1\c(C#N)cccn1C.
What is the InChIKey of 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide?
The InChIKey is LKNIISCXTVFQBT-BXTVWIJMSA-N. The full InChI is InChI=1S/C7H7N3.HI/c1-10-4-2-3-6(5-8)7(10)9;/h2-4,9H,1H3;1H/b9-7+;.
What are the key properties of 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide?
2-imino-1-methylpyridine-3-carbonitrile;hydroiodide has a molecular weight of 261.07 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylpyridine-3-carbonitrile;hydroiodide is sourced from PubChem (CID 90654290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).