5-bromo-4,6-difluoropyrimidine

C4HBrF2N2 — CID 26188909

IUPAC5-bromo-4,6-difluoropyrimidine
SMILESFc1ncnc(F)c1Br
InChIInChI=1S/C4HBrF2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKeyXIBSHDQUWTUSAI-UHFFFAOYSA-N
MW194.97 g/mol
LogP1.52
Rot. Bonds

About 5-bromo-4,6-difluoropyrimidine

5-bromo-4,6-difluoropyrimidine (PubChem CID 26188909) has the molecular formula C4HBrF2N2 and a molecular weight of 194.97 g/mol. Its IUPAC name is 5-bromo-4,6-difluoropyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-difluoropyrimidine
PubChem CID26188909
Molecular FormulaC4HBrF2N2
Molecular Weight194.97 g/mol
Exact Mass193.93
IUPAC Name5-bromo-4,6-difluoropyrimidine
SMILESFc1ncnc(F)c1Br
InChIInChI=1S/C4HBrF2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKeyXIBSHDQUWTUSAI-UHFFFAOYSA-N
XLogP1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.97
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimidine, 5-bromo-4,6-dichloro-
CID 111605
5-Bromo-2-fluoropyrimidine
CID 600690
4,5,6-Trifluoropyrimidine
CID 3572764
5-Bromopyrimidine-4,6-diamine
CID 1236652
5-Bromo-2,4-difluoropyrimidine
CID 2763284
4,6-Difluoropyrimidine-5-carbonitrile
CID 18981198
4,6-Difluoro-5-methylpyrimidine
CID 45080449
5-Bromo-4-fluoropyrimidine
CID 54126891
5-Bromo-2-chloro-4-fluoropyrimidine
CID 54440255
5,6-Difluoropyrimidin-4-amine
CID 54476341
4,6-Dibromo-5-fluoropyrimidine
CID 57832881
5-chloro-4,6-difluoroPyrimidine
CID 14670781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-difluoropyrimidine?
The IUPAC name of 5-bromo-4,6-difluoropyrimidine (CID 26188909) is 5-bromo-4,6-difluoropyrimidine.
What is the SMILES notation for 5-bromo-4,6-difluoropyrimidine?
The canonical SMILES for 5-bromo-4,6-difluoropyrimidine is Fc1ncnc(F)c1Br.
What is the InChIKey of 5-bromo-4,6-difluoropyrimidine?
The InChIKey is XIBSHDQUWTUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF2N2/c5-2-3(6)8-1-9-4(2)7/h1H.
What are the key properties of 5-bromo-4,6-difluoropyrimidine?
5-bromo-4,6-difluoropyrimidine has a molecular weight of 194.97 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-difluoropyrimidine is sourced from PubChem (CID 26188909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).