2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine

C10H11N3O2 — CID 87440185

IUPAC2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine
SMILESO=CC1CC=CNC1=O.c1cncnc1
InChIInChI=1S/C6H7NO2.C4H4N2/c8-4-5-2-1-3-7-6(5)9;1-2-5-4-6-3-1/h1,3-5H,2H2,(H,7,9);1-4H
InChIKeyOVJDWDNEFHVNNE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.31
Rot. Bonds1

About 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine

2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine (PubChem CID 87440185) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine
PubChem CID87440185
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine
SMILESO=CC1CC=CNC1=O.c1cncnc1
InChIInChI=1S/C6H7NO2.C4H4N2/c8-4-5-2-1-3-7-6(5)9;1-2-5-4-6-3-1/h1,3-5H,2H2,(H,7,9);1-4H
InChIKeyOVJDWDNEFHVNNE-UHFFFAOYSA-N
XLogP0.31
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine?
The IUPAC name of 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine (CID 87440185) is 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine is O=CC1CC=CNC1=O.c1cncnc1.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine?
The InChIKey is OVJDWDNEFHVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H4N2/c8-4-5-2-1-3-7-6(5)9;1-2-5-4-6-3-1/h1,3-5H,2H2,(H,7,9);1-4H.
What are the key properties of 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine?
2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine has a molecular weight of 205.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-pyridine-3-carbaldehyde;pyrimidine is sourced from PubChem (CID 87440185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).