5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C10H11BrF3N3 — CID 66320683

IUPAC5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCN(c2ncncc2Br)C1
InChIInChI=1S/C10H11BrF3N3/c11-8-4-15-6-16-9(8)17-3-1-2-7(5-17)10(12,13)14/h4,6-7H,1-3,5H2
InChIKeyXFDDSSXWYPCAPP-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 66320683) has the molecular formula C10H11BrF3N3 and a molecular weight of 310.12 g/mol. Its IUPAC name is 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID66320683
Molecular FormulaC10H11BrF3N3
Molecular Weight310.12 g/mol
Exact Mass309.01
IUPAC Name5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCN(c2ncncc2Br)C1
InChIInChI=1S/C10H11BrF3N3/c11-8-4-15-6-16-9(8)17-3-1-2-7(5-17)10(12,13)14/h4,6-7H,1-3,5H2
InChIKeyXFDDSSXWYPCAPP-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 66320683) is 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)C1CCCN(c2ncncc2Br)C1.
What is the InChIKey of 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is XFDDSSXWYPCAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3/c11-8-4-15-6-16-9(8)17-3-1-2-7(5-17)10(12,13)14/h4,6-7H,1-3,5H2.
What are the key properties of 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 310.12 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 66320683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).