5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid

C12H8ClN3O2S — CID 178158221

IUPAC5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3ncc(Cl)cc32)s1
InChIInChI=1S/C12H8ClN3O2S/c13-7-3-9-11(14-4-7)15-6-16(9)5-8-1-2-10(19-8)12(17)18/h1-4,6H,5H2,(H,17,18)
InChIKeyVGTLZWUKRQFQFS-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.89
Rot. Bonds3

About 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 178158221) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID178158221
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Name5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3ncc(Cl)cc32)s1
InChIInChI=1S/C12H8ClN3O2S/c13-7-3-9-11(14-4-7)15-6-16(9)5-8-1-2-10(19-8)12(17)18/h1-4,6H,5H2,(H,17,18)
InChIKeyVGTLZWUKRQFQFS-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid (CID 178158221) is 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2cnc3ncc(Cl)cc32)s1.
What is the InChIKey of 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is VGTLZWUKRQFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c13-7-3-9-11(14-4-7)15-6-16(9)5-8-1-2-10(19-8)12(17)18/h1-4,6H,5H2,(H,17,18).
What are the key properties of 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 293.74 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 178158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).