1,4-dihydropyridine-3,5-dicarbaldehyde

C7H7NO2 — CID 22924861

IUPAC1,4-dihydropyridine-3,5-dicarbaldehyde
SMILESO=CC1=CNC=C(C=O)C1
InChIInChI=1S/C7H7NO2/c9-4-6-1-7(5-10)3-8-2-6/h2-5,8H,1H2
InChIKeyMGXRBBRGRNETDS-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.15
Rot. Bonds2

About 1,4-dihydropyridine-3,5-dicarbaldehyde

1,4-dihydropyridine-3,5-dicarbaldehyde (PubChem CID 22924861) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 1,4-dihydropyridine-3,5-dicarbaldehyde.

Molecular Properties

Compound Name1,4-dihydropyridine-3,5-dicarbaldehyde
PubChem CID22924861
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name1,4-dihydropyridine-3,5-dicarbaldehyde
SMILESO=CC1=CNC=C(C=O)C1
InChIInChI=1S/C7H7NO2/c9-4-6-1-7(5-10)3-8-2-6/h2-5,8H,1H2
InChIKeyMGXRBBRGRNETDS-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
CID 12502198
1,4-Dihydro-5-methyl-4-oxo-3-pyridinecarboxaldehyde
CID 13197989
1,2,3,4-Tetrahydropyridine-5-carbaldehyde
CID 13786729
5-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
CID 130079615
5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
CID 130079637
5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
CID 130097170
4-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 131049350
1,4-Dihydropyridine-3-carbaldehyde
CID 18785127
acetaldehyde;3-ethyl-5-methyl-1H-pyridin-4-one
CID 91357447
2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde
CID 145229832
1-chloro-4H-pyridine-3,5-dicarbaldehyde
CID 150027084
4-Ethynyl-1,4-dihydropyridine-3,5-dicarbaldehyde
CID 12325222

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridine-3,5-dicarbaldehyde?
The IUPAC name of 1,4-dihydropyridine-3,5-dicarbaldehyde (CID 22924861) is 1,4-dihydropyridine-3,5-dicarbaldehyde.
What is the SMILES notation for 1,4-dihydropyridine-3,5-dicarbaldehyde?
The canonical SMILES for 1,4-dihydropyridine-3,5-dicarbaldehyde is O=CC1=CNC=C(C=O)C1.
What is the InChIKey of 1,4-dihydropyridine-3,5-dicarbaldehyde?
The InChIKey is MGXRBBRGRNETDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-4-6-1-7(5-10)3-8-2-6/h2-5,8H,1H2.
What are the key properties of 1,4-dihydropyridine-3,5-dicarbaldehyde?
1,4-dihydropyridine-3,5-dicarbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridine-3,5-dicarbaldehyde is sourced from PubChem (CID 22924861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).