2,6-diaminopyridine-3-carbaldehyde

C6H7N3O — CID 10877178

IUPAC2,6-diaminopyridine-3-carbaldehyde
SMILESNc1ccc(C=O)c(N)n1
InChIInChI=1S/C6H7N3O/c7-5-2-1-4(3-10)6(8)9-5/h1-3H,(H4,7,8,9)
InChIKeyYDVDHHVHCIAGAJ-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.06
Rot. Bonds1

About 2,6-diaminopyridine-3-carbaldehyde

2,6-diaminopyridine-3-carbaldehyde (PubChem CID 10877178) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2,6-diaminopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,6-diaminopyridine-3-carbaldehyde
PubChem CID10877178
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2,6-diaminopyridine-3-carbaldehyde
SMILESNc1ccc(C=O)c(N)n1
InChIInChI=1S/C6H7N3O/c7-5-2-1-4(3-10)6(8)9-5/h1-3H,(H4,7,8,9)
InChIKeyYDVDHHVHCIAGAJ-UHFFFAOYSA-N
XLogP0.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diaminopyridine-3-carbaldehyde?
The IUPAC name of 2,6-diaminopyridine-3-carbaldehyde (CID 10877178) is 2,6-diaminopyridine-3-carbaldehyde.
What is the SMILES notation for 2,6-diaminopyridine-3-carbaldehyde?
The canonical SMILES for 2,6-diaminopyridine-3-carbaldehyde is Nc1ccc(C=O)c(N)n1.
What is the InChIKey of 2,6-diaminopyridine-3-carbaldehyde?
The InChIKey is YDVDHHVHCIAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-5-2-1-4(3-10)6(8)9-5/h1-3H,(H4,7,8,9).
What are the key properties of 2,6-diaminopyridine-3-carbaldehyde?
2,6-diaminopyridine-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminopyridine-3-carbaldehyde is sourced from PubChem (CID 10877178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).