3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide

C7H10IN3 — CID 90056407

IUPAC3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide
SMILES[H]/N=C(\I)C1=C(N)CNC(C)=C1
InChIInChI=1S/C7H10IN3/c1-4-2-5(7(8)10)6(9)3-11-4/h2,10-11H,3,9H2,1H3/b10-7-
InChIKeyPKDMDXFFXUMPGU-YFHOEESVSA-N
MW263.08 g/mol
LogP1.12
Rot. Bonds1

About 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide

3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide (PubChem CID 90056407) has the molecular formula C7H10IN3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide.

Molecular Properties

Compound Name3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide
PubChem CID90056407
Molecular FormulaC7H10IN3
Molecular Weight263.08 g/mol
Exact Mass262.99
IUPAC Name3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide
SMILES[H]/N=C(\I)C1=C(N)CNC(C)=C1
InChIInChI=1S/C7H10IN3/c1-4-2-5(7(8)10)6(9)3-11-4/h2,10-11H,3,9H2,1H3/b10-7-
InChIKeyPKDMDXFFXUMPGU-YFHOEESVSA-N
XLogP1.12
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide?
The IUPAC name of 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide (CID 90056407) is 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide.
What is the SMILES notation for 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide?
The canonical SMILES for 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide is [H]/N=C(\I)C1=C(N)CNC(C)=C1.
What is the InChIKey of 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide?
The InChIKey is PKDMDXFFXUMPGU-YFHOEESVSA-N. The full InChI is InChI=1S/C7H10IN3/c1-4-2-5(7(8)10)6(9)3-11-4/h2,10-11H,3,9H2,1H3/b10-7-.
What are the key properties of 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide?
3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide has a molecular weight of 263.08 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1,2-dihydropyridine-4-carboximidoyl iodide is sourced from PubChem (CID 90056407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).