5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid

C19H11NO8 — CID 175602392

IUPAC5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c2c(-c3ccncc3)cccc2c1C(=O)O
InChIInChI=1S/C19H11NO8/c21-16(22)12-10-3-1-2-9(8-4-6-20-7-5-8)11(10)13(17(23)24)15(19(27)28)14(12)18(25)26/h1-7H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKeyNPFMMYQQOFFSTN-UHFFFAOYSA-N
MW381.30 g/mol
LogP2.69
Rot. Bonds5

About 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid

5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid (PubChem CID 175602392) has the molecular formula C19H11NO8 and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid
PubChem CID175602392
Molecular FormulaC19H11NO8
Molecular Weight381.30 g/mol
Exact Mass381.05
IUPAC Name5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c2c(-c3ccncc3)cccc2c1C(=O)O
InChIInChI=1S/C19H11NO8/c21-16(22)12-10-3-1-2-9(8-4-6-20-7-5-8)11(10)13(17(23)24)15(19(27)28)14(12)18(25)26/h1-7H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKeyNPFMMYQQOFFSTN-UHFFFAOYSA-N
XLogP2.69
TPSA162.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid (CID 175602392) is 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid is O=C(O)c1c(C(=O)O)c(C(=O)O)c2c(-c3ccncc3)cccc2c1C(=O)O.
What is the InChIKey of 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid?
The InChIKey is NPFMMYQQOFFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO8/c21-16(22)12-10-3-1-2-9(8-4-6-20-7-5-8)11(10)13(17(23)24)15(19(27)28)14(12)18(25)26/h1-7H,(H,21,22)(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid?
5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid has a molecular weight of 381.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylnaphthalene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175602392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).