2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate

C11H18N4O4 — CID 139080615

IUPAC2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)[O-])nc1.[NH3+]CCNCC[NH3+]
InChIInChI=1S/C7H5NO4.C4H13N3/c9-6(10)4-1-2-5(7(11)12)8-3-4;5-1-3-7-4-2-6/h1-3H,(H,9,10)(H,11,12);7H,1-6H2
InChIKeyOLEGMBQXFZNKHF-UHFFFAOYSA-N
MW270.29 g/mol
LogP-5.13
Rot. Bonds6

About 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate

2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate (PubChem CID 139080615) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate
PubChem CID139080615
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)[O-])nc1.[NH3+]CCNCC[NH3+]
InChIInChI=1S/C7H5NO4.C4H13N3/c9-6(10)4-1-2-5(7(11)12)8-3-4;5-1-3-7-4-2-6/h1-3H,(H,9,10)(H,11,12);7H,1-6H2
InChIKeyOLEGMBQXFZNKHF-UHFFFAOYSA-N
XLogP-5.13
TPSA160.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-5.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Quinolinic Acid
CID 1066
Dipropyl isocinchomeronate
CID 8693
2,5-Pyridinedicarboxylic acid
CID 7493
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
Npc323084
CID 5460301
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Methyl 6-methylnicotinate
CID 231548
5-Aminopyridine-2-carboxylic acid
CID 4179726
Methyl 6-formylpyridine-3-carboxylate
CID 586269

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate?
The IUPAC name of 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate (CID 139080615) is 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate.
What is the SMILES notation for 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate?
The canonical SMILES for 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate is O=C([O-])c1ccc(C(=O)[O-])nc1.[NH3+]CCNCC[NH3+].
What is the InChIKey of 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate?
The InChIKey is OLEGMBQXFZNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.C4H13N3/c9-6(10)4-1-2-5(7(11)12)8-3-4;5-1-3-7-4-2-6/h1-3H,(H,9,10)(H,11,12);7H,1-6H2.
What are the key properties of 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate?
2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate has a molecular weight of 270.29 g/mol, XLogP of -5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaniumylethylamino)ethylazanium;pyridine-2,5-dicarboxylate is sourced from PubChem (CID 139080615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).