2-aminopyridine-3-carbaldehyde

C6H6N2O — CID 737633

IUPAC2-aminopyridine-3-carbaldehyde
SMILESNc1ncccc1C=O
InChIInChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)
InChIKeyNXMFJCRMSDRXLD-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.48
Rot. Bonds1

About 2-aminopyridine-3-carbaldehyde

2-aminopyridine-3-carbaldehyde (PubChem CID 737633) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde
PubChem CID737633
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-aminopyridine-3-carbaldehyde
SMILESNc1ncccc1C=O
InChIInChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)
InChIKeyNXMFJCRMSDRXLD-UHFFFAOYSA-N
XLogP0.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-aminopyridine-3-carbaldehyde?
The IUPAC name of 2-aminopyridine-3-carbaldehyde (CID 737633) is 2-aminopyridine-3-carbaldehyde.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde is Nc1ncccc1C=O.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde?
The InChIKey is NXMFJCRMSDRXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8).
What are the key properties of 2-aminopyridine-3-carbaldehyde?
2-aminopyridine-3-carbaldehyde has a molecular weight of 122.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde is sourced from PubChem (CID 737633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).