5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride

C17H13ClIN3O2 — CID 140918347

IUPAC5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride
SMILESCCc1nc2ccccn2c1C(=O)c1cc(I)c(O)c(C#N)c1.Cl
InChIInChI=1S/C17H12IN3O2.ClH/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10;/h3-8,22H,2H2,1H3;1H
InChIKeyOFYGZDIUFPAFPA-UHFFFAOYSA-N
MW453.67 g/mol
LogP3.73
Rot. Bonds3

About 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride

5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride (PubChem CID 140918347) has the molecular formula C17H13ClIN3O2 and a molecular weight of 453.67 g/mol. Its IUPAC name is 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride.

Molecular Properties

Compound Name5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride
PubChem CID140918347
Molecular FormulaC17H13ClIN3O2
Molecular Weight453.67 g/mol
Exact Mass452.97
IUPAC Name5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride
SMILESCCc1nc2ccccn2c1C(=O)c1cc(I)c(O)c(C#N)c1.Cl
InChIInChI=1S/C17H12IN3O2.ClH/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10;/h3-8,22H,2H2,1H3;1H
InChIKeyOFYGZDIUFPAFPA-UHFFFAOYSA-N
XLogP3.73
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride?
The IUPAC name of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride (CID 140918347) is 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride.
What is the SMILES notation for 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride?
The canonical SMILES for 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride is CCc1nc2ccccn2c1C(=O)c1cc(I)c(O)c(C#N)c1.Cl.
What is the InChIKey of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride?
The InChIKey is OFYGZDIUFPAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12IN3O2.ClH/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10;/h3-8,22H,2H2,1H3;1H.
What are the key properties of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride?
5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride has a molecular weight of 453.67 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride is sourced from PubChem (CID 140918347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).