4-azido-2,5,6-trifluoropyrimidine

C4F3N5 — CID 12596724

IUPAC4-azido-2,5,6-trifluoropyrimidine
SMILES[N-]=[N+]=Nc1nc(F)nc(F)c1F
InChIInChI=1S/C4F3N5/c5-1-2(6)9-4(7)10-3(1)11-12-8
InChIKeyHELBKYKTMAHCAZ-UHFFFAOYSA-N
MW175.07 g/mol
LogP1.84
Rot. Bonds1

About 4-azido-2,5,6-trifluoropyrimidine

4-azido-2,5,6-trifluoropyrimidine (PubChem CID 12596724) has the molecular formula C4F3N5 and a molecular weight of 175.07 g/mol. Its IUPAC name is 4-azido-2,5,6-trifluoropyrimidine.

Molecular Properties

Compound Name4-azido-2,5,6-trifluoropyrimidine
PubChem CID12596724
Molecular FormulaC4F3N5
Molecular Weight175.07 g/mol
Exact Mass175.01
IUPAC Name4-azido-2,5,6-trifluoropyrimidine
SMILES[N-]=[N+]=Nc1nc(F)nc(F)c1F
InChIInChI=1S/C4F3N5/c5-1-2(6)9-4(7)10-3(1)11-12-8
InChIKeyHELBKYKTMAHCAZ-UHFFFAOYSA-N
XLogP1.84
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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-Amino-5-chloro-2,6-difluoropyrimidine
CID 22155671
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
4,5,6-Trifluoro-2-methylpyrimidine
CID 58058035
Trifluorochloropyrimidine
CID 21919377
2,4,6-Trifluoro-5-(trifluoromethyl)pyrimidine
CID 23235412
N,N-dichloro-2,5,6-trifluoropyrimidin-4-amine
CID 85924607
2,5-Difluoro-6-iodopyrimidin-4-amine
CID 130154478
2,4,5-Trifluoro-6-iodopyrimidine
CID 134868330
5-Bromo-2,6-difluoropyrimidin-4-amine
CID 5069110
4,6-Diazido-2,5-difluoropyrimidine
CID 12596725

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,5,6-trifluoropyrimidine?
The IUPAC name of 4-azido-2,5,6-trifluoropyrimidine (CID 12596724) is 4-azido-2,5,6-trifluoropyrimidine.
What is the SMILES notation for 4-azido-2,5,6-trifluoropyrimidine?
The canonical SMILES for 4-azido-2,5,6-trifluoropyrimidine is [N-]=[N+]=Nc1nc(F)nc(F)c1F.
What is the InChIKey of 4-azido-2,5,6-trifluoropyrimidine?
The InChIKey is HELBKYKTMAHCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F3N5/c5-1-2(6)9-4(7)10-3(1)11-12-8.
What are the key properties of 4-azido-2,5,6-trifluoropyrimidine?
4-azido-2,5,6-trifluoropyrimidine has a molecular weight of 175.07 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,5,6-trifluoropyrimidine is sourced from PubChem (CID 12596724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).