5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine

C12H13ClN2S — CID 117141673

IUPAC5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cccc2cnc(CC3CCCS3)n12
InChIInChI=1S/C12H13ClN2S/c13-11-5-1-3-9-8-14-12(15(9)11)7-10-4-2-6-16-10/h1,3,5,8,10H,2,4,6-7H2
InChIKeyNBODDQGUMIBFFT-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.43
Rot. Bonds2

About 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine

5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117141673) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117141673
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cccc2cnc(CC3CCCS3)n12
InChIInChI=1S/C12H13ClN2S/c13-11-5-1-3-9-8-14-12(15(9)11)7-10-4-2-6-16-10/h1,3,5,8,10H,2,4,6-7H2
InChIKeyNBODDQGUMIBFFT-UHFFFAOYSA-N
XLogP3.43
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine (CID 117141673) is 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine is Clc1cccc2cnc(CC3CCCS3)n12.
What is the InChIKey of 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is NBODDQGUMIBFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-11-5-1-3-9-8-14-12(15(9)11)7-10-4-2-6-16-10/h1,3,5,8,10H,2,4,6-7H2.
What are the key properties of 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine?
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 252.77 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117141673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).