4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid

C13H8N2O2S — CID 19865447

IUPAC4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cnccc3s2)ccn1
InChIInChI=1S/C13H8N2O2S/c16-13(17)10-5-8(1-4-15-10)12-6-9-7-14-3-2-11(9)18-12/h1-7H,(H,16,17)
InChIKeyXGHYJQSFKVKNGO-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.06
Rot. Bonds2

About 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid

4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid (PubChem CID 19865447) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid
PubChem CID19865447
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cnccc3s2)ccn1
InChIInChI=1S/C13H8N2O2S/c16-13(17)10-5-8(1-4-15-10)12-6-9-7-14-3-2-11(9)18-12/h1-7H,(H,16,17)
InChIKeyXGHYJQSFKVKNGO-UHFFFAOYSA-N
XLogP3.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid (CID 19865447) is 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid is O=C(O)c1cc(-c2cc3cnccc3s2)ccn1.
What is the InChIKey of 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid?
The InChIKey is XGHYJQSFKVKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c16-13(17)10-5-8(1-4-15-10)12-6-9-7-14-3-2-11(9)18-12/h1-7H,(H,16,17).
What are the key properties of 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid?
4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[3,2-c]pyridin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 19865447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).