3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol

C12H15ClN2OS — CID 66135900

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H15ClN2OS/c1-9(4-5-16)17-8-11-7-15-6-10(13)2-3-12(15)14-11/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyPESGCXZQMSBYCT-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.99
Rot. Bonds5

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol (PubChem CID 66135900) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol
PubChem CID66135900
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H15ClN2OS/c1-9(4-5-16)17-8-11-7-15-6-10(13)2-3-12(15)14-11/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyPESGCXZQMSBYCT-UHFFFAOYSA-N
XLogP2.99
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
CID 4262836
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid
CID 55096845
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 46795169
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115625717
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 78818376
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905572
3-[(6-methyl-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 79035532
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N,N-dimethylpropanamide
CID 78959550
3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 78960376
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentan-1-ol
CID 107303015

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol (CID 66135900) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol is CC(CCO)SCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol?
The InChIKey is PESGCXZQMSBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-9(4-5-16)17-8-11-7-15-6-10(13)2-3-12(15)14-11/h2-3,6-7,9,16H,4-5,8H2,1H3.
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol has a molecular weight of 270.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 66135900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).