5,6-diaminopyridine-3-carboxylic acid

C6H7N3O2 — CID 22476298

IUPAC5,6-diaminopyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N
InChIInChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)
InChIKeyAMUTYVGRCVFCCD-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.06
Rot. Bonds1

About 5,6-diaminopyridine-3-carboxylic acid

5,6-diaminopyridine-3-carboxylic acid (PubChem CID 22476298) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5,6-diaminopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-diaminopyridine-3-carboxylic acid
PubChem CID22476298
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5,6-diaminopyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N
InChIInChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)
InChIKeyAMUTYVGRCVFCCD-UHFFFAOYSA-N
XLogP-0.06
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diaminopyridine-3-carboxylic acid?
The IUPAC name of 5,6-diaminopyridine-3-carboxylic acid (CID 22476298) is 5,6-diaminopyridine-3-carboxylic acid.
What is the SMILES notation for 5,6-diaminopyridine-3-carboxylic acid?
The canonical SMILES for 5,6-diaminopyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N.
What is the InChIKey of 5,6-diaminopyridine-3-carboxylic acid?
The InChIKey is AMUTYVGRCVFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11).
What are the key properties of 5,6-diaminopyridine-3-carboxylic acid?
5,6-diaminopyridine-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diaminopyridine-3-carboxylic acid is sourced from PubChem (CID 22476298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).