2,3-dihydropyridine-3-carbaldehyde

C6H7NO — CID 57076602

IUPAC2,3-dihydropyridine-3-carbaldehyde
SMILESO=CC1C=CC=NC1
InChIInChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-3,5-6H,4H2
InChIKeyLPXMEBBHWCUXSI-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.44
Rot. Bonds1

About 2,3-dihydropyridine-3-carbaldehyde

2,3-dihydropyridine-3-carbaldehyde (PubChem CID 57076602) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2,3-dihydropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydropyridine-3-carbaldehyde
PubChem CID57076602
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2,3-dihydropyridine-3-carbaldehyde
SMILESO=CC1C=CC=NC1
InChIInChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-3,5-6H,4H2
InChIKeyLPXMEBBHWCUXSI-UHFFFAOYSA-N
XLogP0.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-carbaldehyde?
The IUPAC name of 2,3-dihydropyridine-3-carbaldehyde (CID 57076602) is 2,3-dihydropyridine-3-carbaldehyde.
What is the SMILES notation for 2,3-dihydropyridine-3-carbaldehyde?
The canonical SMILES for 2,3-dihydropyridine-3-carbaldehyde is O=CC1C=CC=NC1.
What is the InChIKey of 2,3-dihydropyridine-3-carbaldehyde?
The InChIKey is LPXMEBBHWCUXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-3,5-6H,4H2.
What are the key properties of 2,3-dihydropyridine-3-carbaldehyde?
2,3-dihydropyridine-3-carbaldehyde has a molecular weight of 109.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-3-carbaldehyde is sourced from PubChem (CID 57076602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).