2-fluoro-5-iodopyrimidine

C4H2FIN2 — CID 53417056

IUPAC2-fluoro-5-iodopyrimidine
SMILESFc1ncc(I)cn1
InChIInChI=1S/C4H2FIN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKeyIQFADBWJBWUPMH-UHFFFAOYSA-N
MW223.98 g/mol
LogP1.22
Rot. Bonds

About 2-fluoro-5-iodopyrimidine

2-fluoro-5-iodopyrimidine (PubChem CID 53417056) has the molecular formula C4H2FIN2 and a molecular weight of 223.98 g/mol. Its IUPAC name is 2-fluoro-5-iodopyrimidine.

Molecular Properties

Compound Name2-fluoro-5-iodopyrimidine
PubChem CID53417056
Molecular FormulaC4H2FIN2
Molecular Weight223.98 g/mol
Exact Mass223.92
IUPAC Name2-fluoro-5-iodopyrimidine
SMILESFc1ncc(I)cn1
InChIInChI=1S/C4H2FIN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKeyIQFADBWJBWUPMH-UHFFFAOYSA-N
XLogP1.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.98
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodopyrimidine?
The IUPAC name of 2-fluoro-5-iodopyrimidine (CID 53417056) is 2-fluoro-5-iodopyrimidine.
What is the SMILES notation for 2-fluoro-5-iodopyrimidine?
The canonical SMILES for 2-fluoro-5-iodopyrimidine is Fc1ncc(I)cn1.
What is the InChIKey of 2-fluoro-5-iodopyrimidine?
The InChIKey is IQFADBWJBWUPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FIN2/c5-4-7-1-3(6)2-8-4/h1-2H.
What are the key properties of 2-fluoro-5-iodopyrimidine?
2-fluoro-5-iodopyrimidine has a molecular weight of 223.98 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodopyrimidine is sourced from PubChem (CID 53417056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).