2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one

C11H16INO — CID 129299428

IUPAC2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one
SMILESCCCc1c(CC)[nH]c(C)c(I)c1=O
InChIInChI=1S/C11H16INO/c1-4-6-8-9(5-2)13-7(3)10(12)11(8)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyKADRDGNXOXWNKK-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.80
Rot. Bonds3

About 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one

2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one (PubChem CID 129299428) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one
PubChem CID129299428
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one
SMILESCCCc1c(CC)[nH]c(C)c(I)c1=O
InChIInChI=1S/C11H16INO/c1-4-6-8-9(5-2)13-7(3)10(12)11(8)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyKADRDGNXOXWNKK-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
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 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one (CID 129299428) is 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one is CCCc1c(CC)[nH]c(C)c(I)c1=O.
What is the InChIKey of 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one?
The InChIKey is KADRDGNXOXWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-4-6-8-9(5-2)13-7(3)10(12)11(8)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one?
2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one has a molecular weight of 305.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one is sourced from PubChem (CID 129299428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).