6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

C15H13N3O2S — CID 61304759

IUPAC6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cccn2cc(CSc3ccc(C(=O)O)cn3)nc12
InChIInChI=1S/C15H13N3O2S/c1-10-3-2-6-18-8-12(17-14(10)18)9-21-13-5-4-11(7-16-13)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOJRKMZFNRBDOGB-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.03
Rot. Bonds4

About 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 61304759) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID61304759
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cccn2cc(CSc3ccc(C(=O)O)cn3)nc12
InChIInChI=1S/C15H13N3O2S/c1-10-3-2-6-18-8-12(17-14(10)18)9-21-13-5-4-11(7-16-13)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOJRKMZFNRBDOGB-UHFFFAOYSA-N
XLogP3.03
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 61304759) is 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is Cc1cccn2cc(CSc3ccc(C(=O)O)cn3)nc12.
What is the InChIKey of 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is OJRKMZFNRBDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-3-2-6-18-8-12(17-14(10)18)9-21-13-5-4-11(7-16-13)15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61304759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).