4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine

C33H24N2O6 — CID 139147386

IUPAC4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C23H16O6.C10H8N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-8H
InChIKeyPRUXVZVGPYXHIW-UHFFFAOYSA-N
MW544.56 g/mol
LogP6.53
Rot. Bonds5

About 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine (PubChem CID 139147386) has the molecular formula C33H24N2O6 and a molecular weight of 544.56 g/mol. Its IUPAC name is 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine
PubChem CID139147386
Molecular FormulaC33H24N2O6
Molecular Weight544.56 g/mol
Exact Mass544.16
IUPAC Name4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C23H16O6.C10H8N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-8H
InChIKeyPRUXVZVGPYXHIW-UHFFFAOYSA-N
XLogP6.53
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.56
LogP ≤ 56.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(1-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 12921022
(E)-1-(1-hydroxynaphthalen-2-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 21239772
AChE Inhibitor C3
CID 71525091
(E)-1-(1-hydroxynaphthalen-2-yl)-3-pyridin-4-ylprop-2-en-1-one
CID 132544693
2-Hydroxy-6-(3-pyridinyl)-1-naphthalenecarboxaldehyde
CID 25160989
1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one
CID 10381114
2,4,5-Trihydroxy-7-methyl-1,3-dipyridin-3-ylanthracene-9,10-dione
CID 137647506
(2,4-Dihydroxyphenyl)-[2-methyl-6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 127024094
Quinolinium, 1,6-dimethyl-2-(p-(dimethylamino)phenyl)-, salt with 4,4'-methylenebis(3-hydroxy-2-naphthoic acid) (2:1)
CID 54699051
Methyl 5-hydroxyisoquinoline-6-carboxylate
CID 54242020
(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 122189984
(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 122189985

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine?
The IUPAC name of 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine (CID 139147386) is 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine.
What is the SMILES notation for 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine?
The canonical SMILES for 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine is O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine?
The InChIKey is PRUXVZVGPYXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6.C10H8N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-8H.
What are the key properties of 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine?
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine has a molecular weight of 544.56 g/mol, XLogP of 6.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-pyridin-4-ylpyridine is sourced from PubChem (CID 139147386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).