2,4-difluoropyrimidine-5-carbaldehyde

C5H2F2N2O — CID 10012023

IUPAC2,4-difluoropyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(F)nc1F
InChIInChI=1S/C5H2F2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
InChIKeyRZWMRALWLMBMJU-UHFFFAOYSA-N
MW144.08 g/mol
LogP0.57
Rot. Bonds1

About 2,4-difluoropyrimidine-5-carbaldehyde

2,4-difluoropyrimidine-5-carbaldehyde (PubChem CID 10012023) has the molecular formula C5H2F2N2O and a molecular weight of 144.08 g/mol. Its IUPAC name is 2,4-difluoropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-difluoropyrimidine-5-carbaldehyde
PubChem CID10012023
Molecular FormulaC5H2F2N2O
Molecular Weight144.08 g/mol
Exact Mass144.01
IUPAC Name2,4-difluoropyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(F)nc1F
InChIInChI=1S/C5H2F2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
InChIKeyRZWMRALWLMBMJU-UHFFFAOYSA-N
XLogP0.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoropyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-difluoropyrimidine-5-carbaldehyde (CID 10012023) is 2,4-difluoropyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-difluoropyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-difluoropyrimidine-5-carbaldehyde is O=Cc1cnc(F)nc1F.
What is the InChIKey of 2,4-difluoropyrimidine-5-carbaldehyde?
The InChIKey is RZWMRALWLMBMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H.
What are the key properties of 2,4-difluoropyrimidine-5-carbaldehyde?
2,4-difluoropyrimidine-5-carbaldehyde has a molecular weight of 144.08 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoropyrimidine-5-carbaldehyde is sourced from PubChem (CID 10012023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).