3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

C12H7ClN2O2S — CID 170977883

IUPAC3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nn2ccccc2c1-c1ccc(Cl)s1
InChIInChI=1S/C12H7ClN2O2S/c13-9-5-4-8(18-9)10-7-3-1-2-6-15(7)14-11(10)12(16)17/h1-6H,(H,16,17)
InChIKeyUCFBZFAMPAZYQU-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.41
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 170977883) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID170977883
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nn2ccccc2c1-c1ccc(Cl)s1
InChIInChI=1S/C12H7ClN2O2S/c13-9-5-4-8(18-9)10-7-3-1-2-6-15(7)14-11(10)12(16)17/h1-6H,(H,16,17)
InChIKeyUCFBZFAMPAZYQU-UHFFFAOYSA-N
XLogP3.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 170977883) is 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1nn2ccccc2c1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is UCFBZFAMPAZYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-9-5-4-8(18-9)10-7-3-1-2-6-15(7)14-11(10)12(16)17/h1-6H,(H,16,17).
What are the key properties of 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 278.72 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 170977883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).