1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol

C11H11ClN2OS — CID 117250297

IUPAC1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol
SMILESOc1cccc2c(Cl)nc(C3CCSC3)n12
InChIInChI=1S/C11H11ClN2OS/c12-10-8-2-1-3-9(15)14(8)11(13-10)7-4-5-16-6-7/h1-3,7,15H,4-6H2
InChIKeyOKFOCSWKIPTKRJ-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.91
Rot. Bonds1

About 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol

1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol (PubChem CID 117250297) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol
PubChem CID117250297
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol
SMILESOc1cccc2c(Cl)nc(C3CCSC3)n12
InChIInChI=1S/C11H11ClN2OS/c12-10-8-2-1-3-9(15)14(8)11(13-10)7-4-5-16-6-7/h1-3,7,15H,4-6H2
InChIKeyOKFOCSWKIPTKRJ-UHFFFAOYSA-N
XLogP2.91
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol (CID 117250297) is 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol is Oc1cccc2c(Cl)nc(C3CCSC3)n12.
What is the InChIKey of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol?
The InChIKey is OKFOCSWKIPTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-10-8-2-1-3-9(15)14(8)11(13-10)7-4-5-16-6-7/h1-3,7,15H,4-6H2.
What are the key properties of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol?
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol has a molecular weight of 254.74 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117250297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).