2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid

C15H11BrN2O2S — CID 4661848

IUPAC2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
SMILESO=C(O)c1ccccc1SCc1nc2ccccn2c1Br
InChIInChI=1S/C15H11BrN2O2S/c16-14-11(17-13-7-3-4-8-18(13)14)9-21-12-6-2-1-5-10(12)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyMQSHEFPBVPIQSA-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.09
Rot. Bonds4

About 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid

2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid (PubChem CID 4661848) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
PubChem CID4661848
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
SMILESO=C(O)c1ccccc1SCc1nc2ccccn2c1Br
InChIInChI=1S/C15H11BrN2O2S/c16-14-11(17-13-7-3-4-8-18(13)14)9-21-12-6-2-1-5-10(12)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyMQSHEFPBVPIQSA-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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Related Compounds

2-[4-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1482206
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
CID 4137672
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
CID 4319031
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
4-(3H-imidazo[4,5-b]pyridin-3-ylmethyl)benzoic acid
CID 16027762
4-({[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}methyl)benzoic acid
CID 16011318
2-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
CID 3261728
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4225516
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
CID 5126380
4-[[3-[(3-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoic acid
CID 16011316
3-(3H-Imidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 16011692
4-(2-Phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid
CID 71456543

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The IUPAC name of 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid (CID 4661848) is 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid.
What is the SMILES notation for 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The canonical SMILES for 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid is O=C(O)c1ccccc1SCc1nc2ccccn2c1Br.
What is the InChIKey of 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The InChIKey is MQSHEFPBVPIQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-14-11(17-13-7-3-4-8-18(13)14)9-21-12-6-2-1-5-10(12)15(19)20/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
2-[(3-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-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid is sourced from PubChem (CID 4661848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).