8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride

C16H13Cl3N2 — CID 139666536

IUPAC8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride
SMILESCc1cn2cccc(C=Cc3c(Cl)cccc3Cl)c2n1.Cl
InChIInChI=1S/C16H12Cl2N2.ClH/c1-11-10-20-9-3-4-12(16(20)19-11)7-8-13-14(17)5-2-6-15(13)18;/h2-10H,1H3;1H
InChIKeyIHBQXDQEUUSNCJ-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.54
Rot. Bonds2

About 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride

8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride (PubChem CID 139666536) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride
PubChem CID139666536
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride
SMILESCc1cn2cccc(C=Cc3c(Cl)cccc3Cl)c2n1.Cl
InChIInChI=1S/C16H12Cl2N2.ClH/c1-11-10-20-9-3-4-12(16(20)19-11)7-8-13-14(17)5-2-6-15(13)18;/h2-10H,1H3;1H
InChIKeyIHBQXDQEUUSNCJ-UHFFFAOYSA-N
XLogP5.54
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride (CID 139666536) is 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride is Cc1cn2cccc(C=Cc3c(Cl)cccc3Cl)c2n1.Cl.
What is the InChIKey of 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is IHBQXDQEUUSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2.ClH/c1-11-10-20-9-3-4-12(16(20)19-11)7-8-13-14(17)5-2-6-15(13)18;/h2-10H,1H3;1H.
What are the key properties of 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride?
8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 339.65 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,6-dichlorophenyl)ethenyl]-2-methylimidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 139666536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).