4-pyridin-4-ylpyridine;terephthalic acid

C18H14N2O4 — CID 118596757

IUPAC4-pyridin-4-ylpyridine;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C8H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-8H;1-4H,(H,9,10)(H,11,12)
InChIKeyRAIQHUGXQIYRTR-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.23
Rot. Bonds3

About 4-pyridin-4-ylpyridine;terephthalic acid

4-pyridin-4-ylpyridine;terephthalic acid (PubChem CID 118596757) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-pyridin-4-ylpyridine;terephthalic acid.

Molecular Properties

Compound Name4-pyridin-4-ylpyridine;terephthalic acid
PubChem CID118596757
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-pyridin-4-ylpyridine;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C8H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-8H;1-4H,(H,9,10)(H,11,12)
InChIKeyRAIQHUGXQIYRTR-UHFFFAOYSA-N
XLogP3.23
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpyridine;terephthalic acid?
The IUPAC name of 4-pyridin-4-ylpyridine;terephthalic acid (CID 118596757) is 4-pyridin-4-ylpyridine;terephthalic acid.
What is the SMILES notation for 4-pyridin-4-ylpyridine;terephthalic acid?
The canonical SMILES for 4-pyridin-4-ylpyridine;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-pyridin-4-ylpyridine;terephthalic acid?
The InChIKey is RAIQHUGXQIYRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C8H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-8H;1-4H,(H,9,10)(H,11,12).
What are the key properties of 4-pyridin-4-ylpyridine;terephthalic acid?
4-pyridin-4-ylpyridine;terephthalic acid has a molecular weight of 322.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpyridine;terephthalic acid is sourced from PubChem (CID 118596757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).