bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine

C32H24N2O6 — CID 71427966

IUPACbis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine
SMILESO=C(O)c1cc2ccccc2cc1O.O=C(O)c1cc2ccccc2cc1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C11H8O3.C10H8N2/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-6,12H,(H,13,14);1-8H
InChIKeyDUHMCEKCGPOAMI-UHFFFAOYSA-N
MW532.55 g/mol
LogP6.63
Rot. Bonds3

About bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine

bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine (PubChem CID 71427966) has the molecular formula C32H24N2O6 and a molecular weight of 532.55 g/mol. Its IUPAC name is bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namebis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine
PubChem CID71427966
Molecular FormulaC32H24N2O6
Molecular Weight532.55 g/mol
Exact Mass532.16
IUPAC Namebis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine
SMILESO=C(O)c1cc2ccccc2cc1O.O=C(O)c1cc2ccccc2cc1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C11H8O3.C10H8N2/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-6,12H,(H,13,14);1-8H
InChIKeyDUHMCEKCGPOAMI-UHFFFAOYSA-N
XLogP6.63
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine?
The IUPAC name of bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine (CID 71427966) is bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine.
What is the SMILES notation for bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine?
The canonical SMILES for bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine is O=C(O)c1cc2ccccc2cc1O.O=C(O)c1cc2ccccc2cc1O.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine?
The InChIKey is DUHMCEKCGPOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8O3.C10H8N2/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-6,12H,(H,13,14);1-8H.
What are the key properties of bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine?
bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine has a molecular weight of 532.55 g/mol, XLogP of 6.63, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine is sourced from PubChem (CID 71427966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).