1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

C10H9IN2O — CID 165042597

IUPAC1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCC(=O)c1nc2cc(I)ccn2c1C
InChIInChI=1S/C10H9IN2O/c1-6-10(7(2)14)12-9-5-8(11)3-4-13(6)9/h3-5H,1-2H3
InChIKeyOJHXUIIBWCRQSK-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.45
Rot. Bonds1

About 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone

1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 165042597) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID165042597
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCC(=O)c1nc2cc(I)ccn2c1C
InChIInChI=1S/C10H9IN2O/c1-6-10(7(2)14)12-9-5-8(11)3-4-13(6)9/h3-5H,1-2H3
InChIKeyOJHXUIIBWCRQSK-UHFFFAOYSA-N
XLogP2.45
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone (CID 165042597) is 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone is CC(=O)c1nc2cc(I)ccn2c1C.
What is the InChIKey of 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is OJHXUIIBWCRQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c1-6-10(7(2)14)12-9-5-8(11)3-4-13(6)9/h3-5H,1-2H3.
What are the key properties of 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 300.10 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-iodo-3-methylimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 165042597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).