4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid

C13H10N2O4 — CID 102499911

IUPAC4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1
InChIInChI=1S/C13H10N2O4/c14-9-3-1-7(2-4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19)
InChIKeyQBDCCPBQSBPUHM-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.73
Rot. Bonds3

About 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid

4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid (PubChem CID 102499911) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid
PubChem CID102499911
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1
InChIInChI=1S/C13H10N2O4/c14-9-3-1-7(2-4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19)
InChIKeyQBDCCPBQSBPUHM-UHFFFAOYSA-N
XLogP1.73
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid (CID 102499911) is 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid is Nc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1.
What is the InChIKey of 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is QBDCCPBQSBPUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c14-9-3-1-7(2-4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19).
What are the key properties of 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid?
4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 102499911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).