bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine

C24H22N4O6 — CID 139146382

IUPACbis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
SMILESNc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C7H7NO3/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;2*1-3,9H,8H2,(H,10,11)
InChIKeyDGXQXCAYSSDMJH-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.49
Rot. Bonds3

About bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine

bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine (PubChem CID 139146382) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namebis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
PubChem CID139146382
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Namebis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
SMILESNc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C7H7NO3/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;2*1-3,9H,8H2,(H,10,11)
InChIKeyDGXQXCAYSSDMJH-UHFFFAOYSA-N
XLogP3.49
TPSA192.88 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 53.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine?
The IUPAC name of bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine (CID 139146382) is bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine.
What is the SMILES notation for bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine?
The canonical SMILES for bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine is Nc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine?
The InChIKey is DGXQXCAYSSDMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C7H7NO3/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;2*1-3,9H,8H2,(H,10,11).
What are the key properties of bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine?
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine has a molecular weight of 462.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine is sourced from PubChem (CID 139146382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).