2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde

C5H3FN2O2 — CID 10261192

IUPAC2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(F)[nH]c1=O
InChIInChI=1S/C5H3FN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1-2H,(H,7,8,10)
InChIKeyGVSKNEUJYYLNKS-UHFFFAOYSA-N
MW142.09 g/mol
LogP-0.28
Rot. Bonds1

About 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde

2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 10261192) has the molecular formula C5H3FN2O2 and a molecular weight of 142.09 g/mol. Its IUPAC name is 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID10261192
Molecular FormulaC5H3FN2O2
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Name2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(F)[nH]c1=O
InChIInChI=1S/C5H3FN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1-2H,(H,7,8,10)
InChIKeyGVSKNEUJYYLNKS-UHFFFAOYSA-N
XLogP-0.28
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde (CID 10261192) is 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde is O=Cc1cnc(F)[nH]c1=O.
What is the InChIKey of 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is GVSKNEUJYYLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1-2H,(H,7,8,10).
What are the key properties of 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde?
2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 142.09 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 10261192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).