2-chloro-5-fluoropyrimidine-4-carbaldehyde

C5H2ClFN2O — CID 171934886

IUPAC2-chloro-5-fluoropyrimidine-4-carbaldehyde
SMILESO=Cc1nc(Cl)ncc1F
InChIInChI=1S/C5H2ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1-2H
InChIKeyLWXSRXUBQCPHSA-UHFFFAOYSA-N
MW160.54 g/mol
LogP1.08
Rot. Bonds1

About 2-chloro-5-fluoropyrimidine-4-carbaldehyde

2-chloro-5-fluoropyrimidine-4-carbaldehyde (PubChem CID 171934886) has the molecular formula C5H2ClFN2O and a molecular weight of 160.54 g/mol. Its IUPAC name is 2-chloro-5-fluoropyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-fluoropyrimidine-4-carbaldehyde
PubChem CID171934886
Molecular FormulaC5H2ClFN2O
Molecular Weight160.54 g/mol
Exact Mass159.98
IUPAC Name2-chloro-5-fluoropyrimidine-4-carbaldehyde
SMILESO=Cc1nc(Cl)ncc1F
InChIInChI=1S/C5H2ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1-2H
InChIKeyLWXSRXUBQCPHSA-UHFFFAOYSA-N
XLogP1.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.54
LogP ≤ 51.08
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-chloro-5-fluoropyrimidine-4-carbaldehyde?
The IUPAC name of 2-chloro-5-fluoropyrimidine-4-carbaldehyde (CID 171934886) is 2-chloro-5-fluoropyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-fluoropyrimidine-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-fluoropyrimidine-4-carbaldehyde is O=Cc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoropyrimidine-4-carbaldehyde?
The InChIKey is LWXSRXUBQCPHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1-2H.
What are the key properties of 2-chloro-5-fluoropyrimidine-4-carbaldehyde?
2-chloro-5-fluoropyrimidine-4-carbaldehyde has a molecular weight of 160.54 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyrimidine-4-carbaldehyde is sourced from PubChem (CID 171934886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).