5-fluoropyrimidine-2-carbonyl chloride

C5H2ClFN2O — CID 21072669

IUPAC5-fluoropyrimidine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(F)cn1
InChIInChI=1S/C5H2ClFN2O/c6-4(10)5-8-1-3(7)2-9-5/h1-2H
InChIKeyNFAXZSUYVMUBPW-UHFFFAOYSA-N
MW160.54 g/mol
LogP0.99
Rot. Bonds1

About 5-fluoropyrimidine-2-carbonyl chloride

5-fluoropyrimidine-2-carbonyl chloride (PubChem CID 21072669) has the molecular formula C5H2ClFN2O and a molecular weight of 160.54 g/mol. Its IUPAC name is 5-fluoropyrimidine-2-carbonyl chloride.

Molecular Properties

Compound Name5-fluoropyrimidine-2-carbonyl chloride
PubChem CID21072669
Molecular FormulaC5H2ClFN2O
Molecular Weight160.54 g/mol
Exact Mass159.98
IUPAC Name5-fluoropyrimidine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(F)cn1
InChIInChI=1S/C5H2ClFN2O/c6-4(10)5-8-1-3(7)2-9-5/h1-2H
InChIKeyNFAXZSUYVMUBPW-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyrimidine-2-carbonyl chloride?
The IUPAC name of 5-fluoropyrimidine-2-carbonyl chloride (CID 21072669) is 5-fluoropyrimidine-2-carbonyl chloride.
What is the SMILES notation for 5-fluoropyrimidine-2-carbonyl chloride?
The canonical SMILES for 5-fluoropyrimidine-2-carbonyl chloride is O=C(Cl)c1ncc(F)cn1.
What is the InChIKey of 5-fluoropyrimidine-2-carbonyl chloride?
The InChIKey is NFAXZSUYVMUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O/c6-4(10)5-8-1-3(7)2-9-5/h1-2H.
What are the key properties of 5-fluoropyrimidine-2-carbonyl chloride?
5-fluoropyrimidine-2-carbonyl chloride has a molecular weight of 160.54 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidine-2-carbonyl chloride is sourced from PubChem (CID 21072669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).