2,3-dihydropyridine-2,6-dicarbaldehyde

C7H7NO2 — CID 18714338

IUPAC2,3-dihydropyridine-2,6-dicarbaldehyde
SMILESO=CC1=NC(C=O)CC=C1
InChIInChI=1S/C7H7NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-2,4-5,7H,3H2
InChIKeyGUGVLVLGQPTLQN-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.15
Rot. Bonds2

About 2,3-dihydropyridine-2,6-dicarbaldehyde

2,3-dihydropyridine-2,6-dicarbaldehyde (PubChem CID 18714338) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2,3-dihydropyridine-2,6-dicarbaldehyde.

Molecular Properties

Compound Name2,3-dihydropyridine-2,6-dicarbaldehyde
PubChem CID18714338
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2,3-dihydropyridine-2,6-dicarbaldehyde
SMILESO=CC1=NC(C=O)CC=C1
InChIInChI=1S/C7H7NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-2,4-5,7H,3H2
InChIKeyGUGVLVLGQPTLQN-UHFFFAOYSA-N
XLogP0.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.15
H-Bond Donors ≤ 50
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 2,3-dihydropyridine-2,6-dicarbaldehyde?
The IUPAC name of 2,3-dihydropyridine-2,6-dicarbaldehyde (CID 18714338) is 2,3-dihydropyridine-2,6-dicarbaldehyde.
What is the SMILES notation for 2,3-dihydropyridine-2,6-dicarbaldehyde?
The canonical SMILES for 2,3-dihydropyridine-2,6-dicarbaldehyde is O=CC1=NC(C=O)CC=C1.
What is the InChIKey of 2,3-dihydropyridine-2,6-dicarbaldehyde?
The InChIKey is GUGVLVLGQPTLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-2,4-5,7H,3H2.
What are the key properties of 2,3-dihydropyridine-2,6-dicarbaldehyde?
2,3-dihydropyridine-2,6-dicarbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-2,6-dicarbaldehyde is sourced from PubChem (CID 18714338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).