4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid

C16H12N2O4S — CID 71406990

IUPAC4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)s1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C6H4O4S/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-5(8)3-1-2-4(11-3)6(9)10/h1-8H;1-2H,(H,7,8)(H,9,10)
InChIKeyXILYQIAQXBFUSF-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.29
Rot. Bonds3

About 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid

4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid (PubChem CID 71406990) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
PubChem CID71406990
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)s1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C6H4O4S/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-5(8)3-1-2-4(11-3)6(9)10/h1-8H;1-2H,(H,7,8)(H,9,10)
InChIKeyXILYQIAQXBFUSF-UHFFFAOYSA-N
XLogP3.29
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid?
The IUPAC name of 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid (CID 71406990) is 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid.
What is the SMILES notation for 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid?
The canonical SMILES for 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)s1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid?
The InChIKey is XILYQIAQXBFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C6H4O4S/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;7-5(8)3-1-2-4(11-3)6(9)10/h1-8H;1-2H,(H,7,8)(H,9,10).
What are the key properties of 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid?
4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid has a molecular weight of 328.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 71406990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).