bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine

C24H22N4O4 — CID 139145688

IUPACbis(4-aminobenzoic acid);2-pyridin-2-ylpyridine
SMILESNc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C7H7NO2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-3-1-5(2-4-6)7(9)10/h1-8H;2*1-4H,8H2,(H,9,10)
InChIKeyHCEROOIZSBEYIX-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.08
Rot. Bonds3

About bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine

bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine (PubChem CID 139145688) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(4-aminobenzoic acid);2-pyridin-2-ylpyridine
PubChem CID139145688
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Namebis(4-aminobenzoic acid);2-pyridin-2-ylpyridine
SMILESNc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C7H7NO2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-3-1-5(2-4-6)7(9)10/h1-8H;2*1-4H,8H2,(H,9,10)
InChIKeyHCEROOIZSBEYIX-UHFFFAOYSA-N
XLogP4.08
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-aminobenzoic acid);2-pyridin-2-ylpyridine?
The IUPAC name of bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine (CID 139145688) is bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine is Nc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine?
The InChIKey is HCEROOIZSBEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C7H7NO2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-3-1-5(2-4-6)7(9)10/h1-8H;2*1-4H,8H2,(H,9,10).
What are the key properties of bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine?
bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine has a molecular weight of 430.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminobenzoic acid);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139145688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).