2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

C10H10Cl2N2OS — CID 510903

IUPAC2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
SMILESOCCSCc1c(Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C10H10Cl2N2OS/c11-7-1-2-9-13-10(12)8(14(9)5-7)6-16-4-3-15/h1-2,5,15H,3-4,6H2
InChIKeyKIPGTQNPIAZUPG-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.87
Rot. Bonds4

About 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol (PubChem CID 510903) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
PubChem CID510903
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
SMILESOCCSCc1c(Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C10H10Cl2N2OS/c11-7-1-2-9-13-10(12)8(14(9)5-7)6-16-4-3-15/h1-2,5,15H,3-4,6H2
InChIKeyKIPGTQNPIAZUPG-UHFFFAOYSA-N
XLogP2.87
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol (CID 510903) is 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol is OCCSCc1c(Cl)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
The InChIKey is KIPGTQNPIAZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/c11-7-1-2-9-13-10(12)8(14(9)5-7)6-16-4-3-15/h1-2,5,15H,3-4,6H2.
What are the key properties of 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol?
2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol has a molecular weight of 277.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 510903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).