5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid

C14H10N2O8 — CID 137331715

IUPAC5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid
SMILESNc1ccc2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1N
InChIInChI=1S/C14H10N2O8/c15-4-2-1-3-5(10(4)16)7(12(19)20)9(14(23)24)8(13(21)22)6(3)11(17)18/h1-2H,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyPCECFLQJMIIAAA-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.80
Rot. Bonds4

About 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid

5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid (PubChem CID 137331715) has the molecular formula C14H10N2O8 and a molecular weight of 334.24 g/mol. Its IUPAC name is 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid
PubChem CID137331715
Molecular FormulaC14H10N2O8
Molecular Weight334.24 g/mol
Exact Mass334.04
IUPAC Name5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid
SMILESNc1ccc2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1N
InChIInChI=1S/C14H10N2O8/c15-4-2-1-3-5(10(4)16)7(12(19)20)9(14(23)24)8(13(21)22)6(3)11(17)18/h1-2H,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyPCECFLQJMIIAAA-UHFFFAOYSA-N
XLogP0.80
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.24
LogP ≤ 50.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-diaminonaphthalene-1-carboxylic acid
CID 45089629
5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
potassium;coronene-1,2,3,4-tetracarboxylic acid;hydride
CID 175062872
6-amino-2-oxo-1H-quinoline-5-carboxylic acid
CID 63240224
2,3-diamino-6-methylsulfanylbenzoic acid
CID 133059678
pyrene-1,2,6,7-tetracarboxylic acid
CID 19093279
6,7-diamino-1-benzothiophene-3-carboxylic acid
CID 131091449
4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
3-amino-6-fluorophthalic acid
CID 142417413
1-amino-4-carbamoylnaphthalene-2,3-dicarboxylic acid
CID 139721854
5-amino-1,2-dicarbamoylperylene-3,4-dicarboxylic acid
CID 154265752
carbamoylurea;pyrene-1,2,3,4-tetracarboxylic acid
CID 174823483

Frequently Asked Questions

What is the IUPAC name of 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid (CID 137331715) is 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid is Nc1ccc2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1N.
What is the InChIKey of 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid?
The InChIKey is PCECFLQJMIIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O8/c15-4-2-1-3-5(10(4)16)7(12(19)20)9(14(23)24)8(13(21)22)6(3)11(17)18/h1-2H,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid?
5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid has a molecular weight of 334.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 137331715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).