2-amino-1,2-dihydropyridine-3-carbaldehyde

C6H8N2O — CID 129156992

IUPAC2-amino-1,2-dihydropyridine-3-carbaldehyde
SMILESNC1NC=CC=C1C=O
InChIInChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-4,6,8H,7H2
InChIKeySAFMYCSIVZOLEY-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.49
Rot. Bonds1

About 2-amino-1,2-dihydropyridine-3-carbaldehyde

2-amino-1,2-dihydropyridine-3-carbaldehyde (PubChem CID 129156992) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-amino-1,2-dihydropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-1,2-dihydropyridine-3-carbaldehyde
PubChem CID129156992
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-amino-1,2-dihydropyridine-3-carbaldehyde
SMILESNC1NC=CC=C1C=O
InChIInChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-4,6,8H,7H2
InChIKeySAFMYCSIVZOLEY-UHFFFAOYSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
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-amino-1,2-dihydropyridine-3-carbaldehyde?
The IUPAC name of 2-amino-1,2-dihydropyridine-3-carbaldehyde (CID 129156992) is 2-amino-1,2-dihydropyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-1,2-dihydropyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-1,2-dihydropyridine-3-carbaldehyde is NC1NC=CC=C1C=O.
What is the InChIKey of 2-amino-1,2-dihydropyridine-3-carbaldehyde?
The InChIKey is SAFMYCSIVZOLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-4,6,8H,7H2.
What are the key properties of 2-amino-1,2-dihydropyridine-3-carbaldehyde?
2-amino-1,2-dihydropyridine-3-carbaldehyde has a molecular weight of 124.14 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,2-dihydropyridine-3-carbaldehyde is sourced from PubChem (CID 129156992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).