2,4,6-trifluoro-5-iodopyrimidine

C4F3IN2 — CID 143789968

IUPAC2,4,6-trifluoro-5-iodopyrimidine
SMILESFc1nc(F)c(I)c(F)n1
InChIInChI=1S/C4F3IN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKeyDDFUCFZEJQAPBF-UHFFFAOYSA-N
MW259.96 g/mol
LogP1.50
Rot. Bonds

About 2,4,6-trifluoro-5-iodopyrimidine

2,4,6-trifluoro-5-iodopyrimidine (PubChem CID 143789968) has the molecular formula C4F3IN2 and a molecular weight of 259.96 g/mol. Its IUPAC name is 2,4,6-trifluoro-5-iodopyrimidine.

Molecular Properties

Compound Name2,4,6-trifluoro-5-iodopyrimidine
PubChem CID143789968
Molecular FormulaC4F3IN2
Molecular Weight259.96 g/mol
Exact Mass259.91
IUPAC Name2,4,6-trifluoro-5-iodopyrimidine
SMILESFc1nc(F)c(I)c(F)n1
InChIInChI=1S/C4F3IN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKeyDDFUCFZEJQAPBF-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.96
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-5-iodopyrimidine
CID 10263747
5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
CID 114986666
CID 114986666
2,4,5-trifluoropyrimidine
CID 12797307
2,6-difluoro-3-iodopyridin-4-amine
CID 162518581
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077
3,5,6-trifluoro-1,2,4-triazine
CID 12533026
2-tert-butyl-4-fluoro-5-iodo-6-methylpyrimidine
CID 164648907
4-chloro-2,6-difluoro-5-methylpyrimidine
CID 18981191
2,5-difluoro-6-iodopyrimidin-4-amine
CID 130154478
2,4,6-trifluoro-5-phenylpyrimidine
CID 22725174
4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine
CID 164652186

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-5-iodopyrimidine?
The IUPAC name of 2,4,6-trifluoro-5-iodopyrimidine (CID 143789968) is 2,4,6-trifluoro-5-iodopyrimidine.
What is the SMILES notation for 2,4,6-trifluoro-5-iodopyrimidine?
The canonical SMILES for 2,4,6-trifluoro-5-iodopyrimidine is Fc1nc(F)c(I)c(F)n1.
What is the InChIKey of 2,4,6-trifluoro-5-iodopyrimidine?
The InChIKey is DDFUCFZEJQAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F3IN2/c5-2-1(8)3(6)10-4(7)9-2.
What are the key properties of 2,4,6-trifluoro-5-iodopyrimidine?
2,4,6-trifluoro-5-iodopyrimidine has a molecular weight of 259.96 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-5-iodopyrimidine is sourced from PubChem (CID 143789968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).