1,2-dihydropyridine-5-carbaldehyde

C6H7NO — CID 19045893

IUPAC1,2-dihydropyridine-5-carbaldehyde
SMILESO=CC1=CNCC=C1
InChIInChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-2,4-5,7H,3H2
InChIKeyLXIYTJMQHZQXFF-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.23
Rot. Bonds1

About 1,2-dihydropyridine-5-carbaldehyde

1,2-dihydropyridine-5-carbaldehyde (PubChem CID 19045893) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1,2-dihydropyridine-5-carbaldehyde.

Molecular Properties

Compound Name1,2-dihydropyridine-5-carbaldehyde
PubChem CID19045893
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1,2-dihydropyridine-5-carbaldehyde
SMILESO=CC1=CNCC=C1
InChIInChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-2,4-5,7H,3H2
InChIKeyLXIYTJMQHZQXFF-UHFFFAOYSA-N
XLogP0.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
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 1,2-dihydropyridine-5-carbaldehyde?
The IUPAC name of 1,2-dihydropyridine-5-carbaldehyde (CID 19045893) is 1,2-dihydropyridine-5-carbaldehyde.
What is the SMILES notation for 1,2-dihydropyridine-5-carbaldehyde?
The canonical SMILES for 1,2-dihydropyridine-5-carbaldehyde is O=CC1=CNCC=C1.
What is the InChIKey of 1,2-dihydropyridine-5-carbaldehyde?
The InChIKey is LXIYTJMQHZQXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-2,4-5,7H,3H2.
What are the key properties of 1,2-dihydropyridine-5-carbaldehyde?
1,2-dihydropyridine-5-carbaldehyde has a molecular weight of 109.13 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-5-carbaldehyde is sourced from PubChem (CID 19045893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).