1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one

C11H11IN2O — CID 158316554

IUPAC1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one
SMILESCCCC(=O)c1ccn2c(I)cnc2c1
InChIInChI=1S/C11H11IN2O/c1-2-3-9(15)8-4-5-14-10(12)7-13-11(14)6-8/h4-7H,2-3H2,1H3
InChIKeyUEUCXAYWJXGKCK-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.92
Rot. Bonds3

About 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one

1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one (PubChem CID 158316554) has the molecular formula C11H11IN2O and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one
PubChem CID158316554
Molecular FormulaC11H11IN2O
Molecular Weight314.13 g/mol
Exact Mass313.99
IUPAC Name1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one
SMILESCCCC(=O)c1ccn2c(I)cnc2c1
InChIInChI=1S/C11H11IN2O/c1-2-3-9(15)8-4-5-14-10(12)7-13-11(14)6-8/h4-7H,2-3H2,1H3
InChIKeyUEUCXAYWJXGKCK-UHFFFAOYSA-N
XLogP2.92
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

imidazo[1,2-a]pyridine-7-carboxylic acid;1-imidazo[1,2-a]pyridin-7-ylbutan-1-one;1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one;methane;hydrochloride
CID 161410263
1-imidazo[1,2-a]pyridin-7-ylbutan-1-one
CID 158316553
azetidin-1-yl-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 57497689
(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 66724497
3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one
CID 159481234
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(2-phenyl-4-pyridinyl)butan-1-one
CID 44538893
methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 157275453
3-iodo-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 154973002
6-butanoyl-3-methyl-1,3-benzoselenazol-2-one
CID 10062285
3-butanoyl-8-[2-(3-fluorophenyl)ethynyl]pyrido[1,2-a]pyrimidin-4-one
CID 58574223

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one?
The IUPAC name of 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one (CID 158316554) is 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one.
What is the SMILES notation for 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one?
The canonical SMILES for 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one is CCCC(=O)c1ccn2c(I)cnc2c1.
What is the InChIKey of 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one?
The InChIKey is UEUCXAYWJXGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O/c1-2-3-9(15)8-4-5-14-10(12)7-13-11(14)6-8/h4-7H,2-3H2,1H3.
What are the key properties of 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one?
1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one has a molecular weight of 314.13 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one is sourced from PubChem (CID 158316554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).