2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid

C10H9ClN2O2S — CID 4262836

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN2O2S/c11-7-1-2-9-12-8(4-13(9)3-7)5-16-6-10(14)15/h1-4H,5-6H2,(H,14,15)
InChIKeyMZUFYIJUSIHQBD-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.31
Rot. Bonds4

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid (PubChem CID 4262836) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
PubChem CID4262836
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN2O2S/c11-7-1-2-9-12-8(4-13(9)3-7)5-16-6-10(14)15/h1-4H,5-6H2,(H,14,15)
InChIKeyMZUFYIJUSIHQBD-UHFFFAOYSA-N
XLogP2.31
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
CID 170887196
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol
CID 66135900
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid
CID 43619667
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]aniline
CID 78912513
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
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
2-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371922
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid (CID 4262836) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid is O=C(O)CSCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid?
The InChIKey is MZUFYIJUSIHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-7-1-2-9-12-8(4-13(9)3-7)5-16-6-10(14)15/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid has a molecular weight of 256.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 4262836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).