(3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate

C11H11IN2O2 — CID 141396656

IUPAC(3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1nc2ccccn2c1I
InChIInChI=1S/C11H11IN2O2/c1-2-10(15)16-7-8-11(12)14-6-4-3-5-9(14)13-8/h3-6H,2,7H2,1H3
InChIKeyUMIJCBGOIXHZBB-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.39
Rot. Bonds3

About (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate

(3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate (PubChem CID 141396656) has the molecular formula C11H11IN2O2 and a molecular weight of 330.13 g/mol. Its IUPAC name is (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate.

Molecular Properties

Compound Name(3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate
PubChem CID141396656
Molecular FormulaC11H11IN2O2
Molecular Weight330.13 g/mol
Exact Mass329.99
IUPAC Name(3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1nc2ccccn2c1I
InChIInChI=1S/C11H11IN2O2/c1-2-10(15)16-7-8-11(12)14-6-4-3-5-9(14)13-8/h3-6H,2,7H2,1H3
InChIKeyUMIJCBGOIXHZBB-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 76849304
3-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one;(3-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl acetate
CID 161408506
2-ethylimidazo[1,2-a]pyridin-3-amine
CID 63617913
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
naphthalen-1-ylmethyl propanoate
CID 13262702
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
ethyl 2-[3-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 156579945
(2-ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone;hydrochloride
CID 21145966
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82223320
benzyl propanoate;hydrochloride
CID 140986165
N'-[2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetyl]-2-methylpropanehydrazide
CID 154789281

Frequently Asked Questions

What is the IUPAC name of (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate?
The IUPAC name of (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate (CID 141396656) is (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate.
What is the SMILES notation for (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate?
The canonical SMILES for (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate is CCC(=O)OCc1nc2ccccn2c1I.
What is the InChIKey of (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate?
The InChIKey is UMIJCBGOIXHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2/c1-2-10(15)16-7-8-11(12)14-6-4-3-5-9(14)13-8/h3-6H,2,7H2,1H3.
What are the key properties of (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate?
(3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate has a molecular weight of 330.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodoimidazo[1,2-a]pyridin-2-yl)methyl propanoate is sourced from PubChem (CID 141396656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).