3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol

C12H13ClN2O — CID 81416434

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol
SMILESCC1C(O)CC1c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H13ClN2O/c1-7-8(6-9(7)16)11-12(13)14-10-4-2-3-5-15(10)11/h2-5,7-9,16H,6H2,1H3
InChIKeyWQBTVYKVZQLUPH-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.47
Rot. Bonds1

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol (PubChem CID 81416434) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol
PubChem CID81416434
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol
SMILESCC1C(O)CC1c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H13ClN2O/c1-7-8(6-9(7)16)11-12(13)14-10-4-2-3-5-15(10)11/h2-5,7-9,16H,6H2,1H3
InChIKeyWQBTVYKVZQLUPH-UHFFFAOYSA-N
XLogP2.47
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol (CID 81416434) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol is CC1C(O)CC1c1c(Cl)nc2ccccn12.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol?
The InChIKey is WQBTVYKVZQLUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7-8(6-9(7)16)11-12(13)14-10-4-2-3-5-15(10)11/h2-5,7-9,16H,6H2,1H3.
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol has a molecular weight of 236.70 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 81416434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).