1-methyl-4-propan-2-yl-2H-pyridine iodide

C9H15IN- — CID 57357639

IUPAC1-methyl-4-propan-2-yl-2H-pyridine iodide
SMILESCC(C)C1=CCN(C)C=C1.[I-]
InChIInChI=1S/C9H15N.HI/c1-8(2)9-4-6-10(3)7-5-9;/h4-6,8H,7H2,1-3H3;1H/p-1
InChIKeyLEZOBKQKWUKKPI-UHFFFAOYSA-M
MW264.13 g/mol
LogP-0.97
Rot. Bonds1

About 1-methyl-4-propan-2-yl-2H-pyridine iodide

1-methyl-4-propan-2-yl-2H-pyridine iodide (PubChem CID 57357639) has the molecular formula C9H15IN- and a molecular weight of 264.13 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2H-pyridine iodide.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2H-pyridine iodide
PubChem CID57357639
Molecular FormulaC9H15IN-
Molecular Weight264.13 g/mol
Exact Mass264.03
IUPAC Name1-methyl-4-propan-2-yl-2H-pyridine iodide
SMILESCC(C)C1=CCN(C)C=C1.[I-]
InChIInChI=1S/C9H15N.HI/c1-8(2)9-4-6-10(3)7-5-9;/h4-6,8H,7H2,1-3H3;1H/p-1
InChIKeyLEZOBKQKWUKKPI-UHFFFAOYSA-M
XLogP-0.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2H-pyridine iodide?
The IUPAC name of 1-methyl-4-propan-2-yl-2H-pyridine iodide (CID 57357639) is 1-methyl-4-propan-2-yl-2H-pyridine iodide.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2H-pyridine iodide?
The canonical SMILES for 1-methyl-4-propan-2-yl-2H-pyridine iodide is CC(C)C1=CCN(C)C=C1.[I-].
What is the InChIKey of 1-methyl-4-propan-2-yl-2H-pyridine iodide?
The InChIKey is LEZOBKQKWUKKPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N.HI/c1-8(2)9-4-6-10(3)7-5-9;/h4-6,8H,7H2,1-3H3;1H/p-1.
What are the key properties of 1-methyl-4-propan-2-yl-2H-pyridine iodide?
1-methyl-4-propan-2-yl-2H-pyridine iodide has a molecular weight of 264.13 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2H-pyridine iodide is sourced from PubChem (CID 57357639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).