5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid

C13H9ClN2O2S — CID 178158204

IUPAC5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc3ncc(Cl)cc32)s1
InChIInChI=1S/C13H9ClN2O2S/c14-8-5-11-10(15-6-8)3-4-16(11)7-9-1-2-12(19-9)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyQIUFTTKVIVUNAL-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.50
Rot. Bonds3

About 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 178158204) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID178158204
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc3ncc(Cl)cc32)s1
InChIInChI=1S/C13H9ClN2O2S/c14-8-5-11-10(15-6-8)3-4-16(11)7-9-1-2-12(19-9)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyQIUFTTKVIVUNAL-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid (CID 178158204) is 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2ccc3ncc(Cl)cc32)s1.
What is the InChIKey of 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is QIUFTTKVIVUNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-8-5-11-10(15-6-8)3-4-16(11)7-9-1-2-12(19-9)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 292.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 178158204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).