2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid

C15H11BrN2O2S — CID 4137672

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
SMILESO=C(O)c1ccccc1SCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C15H11BrN2O2S/c16-10-5-6-14-17-11(8-18(14)7-10)9-21-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyLTGNOCDYHJTJJB-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.09
Rot. Bonds4

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid (PubChem CID 4137672) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
PubChem CID4137672
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
SMILESO=C(O)c1ccccc1SCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C15H11BrN2O2S/c16-10-5-6-14-17-11(8-18(14)7-10)9-21-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyLTGNOCDYHJTJJB-UHFFFAOYSA-N
XLogP4.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid (CID 4137672) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid is O=C(O)c1ccccc1SCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The InChIKey is LTGNOCDYHJTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-10-5-6-14-17-11(8-18(14)7-10)9-21-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid has a molecular weight of 363.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid is sourced from PubChem (CID 4137672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).