2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

C14H10BrN3O2S — CID 4225516

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C14H10BrN3O2S/c15-9-3-4-12-17-10(7-18(12)6-9)8-21-13-11(14(19)20)2-1-5-16-13/h1-7H,8H2,(H,19,20)
InChIKeyIYHSQNKRTPJXFO-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.48
Rot. Bonds4

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 4225516) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID4225516
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C14H10BrN3O2S/c15-9-3-4-12-17-10(7-18(12)6-9)8-21-13-11(14(19)20)2-1-5-16-13/h1-7H,8H2,(H,19,20)
InChIKeyIYHSQNKRTPJXFO-UHFFFAOYSA-N
XLogP3.48
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 4225516) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1SCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is IYHSQNKRTPJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c15-9-3-4-12-17-10(7-18(12)6-9)8-21-13-11(14(19)20)2-1-5-16-13/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 364.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 4225516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).