2,4,5-trifluoro-6-iodopyrimidine

C4F3IN2 — CID 134868330

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

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

2,4,5-trifluoro-6-iodopyrimidine (PubChem CID 134868330) has the molecular formula C4F3IN2 and a molecular weight of 259.96 g/mol. Its IUPAC name is 2,4,5-trifluoro-6-iodopyrimidine.

Molecular Properties

Compound Name2,4,5-trifluoro-6-iodopyrimidine
PubChem CID134868330
Molecular FormulaC4F3IN2
Molecular Weight259.96 g/mol
Exact Mass259.91
IUPAC Name2,4,5-trifluoro-6-iodopyrimidine
SMILESFc1nc(F)c(F)c(I)n1
InChIInChI=1S/C4F3IN2/c5-1-2(6)9-4(7)10-3(1)8
InChIKeyNYGBXAJYPHWEFU-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

Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
2,4,5,6-Tetrafluoropyrimidine
CID 136605
4,5,6-Trifluoropyrimidine
CID 3572764
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
4,5,6-Trifluoro-2-methylpyrimidine
CID 58058035
2,5-Difluoro-4,6-dichloropyrimidine
CID 13388992
Trifluorochloropyrimidine
CID 21919377
2,4-Difluoro-6-iodopyrimidine
CID 134868529
5-(Difluoromethyl)-2,4,6-trifluoropyrimidine
CID 21434368
2,4,6-Trifluoro-5-(trifluoromethyl)pyrimidine
CID 23235412
2,4,6-Trifluoropyrimidine-5-carbonitrile
CID 23235414
N,N-dichloro-2,5,6-trifluoropyrimidin-4-amine
CID 85924607

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-6-iodopyrimidine?
The IUPAC name of 2,4,5-trifluoro-6-iodopyrimidine (CID 134868330) is 2,4,5-trifluoro-6-iodopyrimidine.
What is the SMILES notation for 2,4,5-trifluoro-6-iodopyrimidine?
The canonical SMILES for 2,4,5-trifluoro-6-iodopyrimidine is Fc1nc(F)c(F)c(I)n1.
What is the InChIKey of 2,4,5-trifluoro-6-iodopyrimidine?
The InChIKey is NYGBXAJYPHWEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F3IN2/c5-1-2(6)9-4(7)10-3(1)8.
What are the key properties of 2,4,5-trifluoro-6-iodopyrimidine?
2,4,5-trifluoro-6-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 2,4,5-trifluoro-6-iodopyrimidine is sourced from PubChem (CID 134868330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).