5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine

C11H11BrF4N2 — CID 135388007

IUPAC5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
SMILESFC1CCN(c2cc(Br)cnc2C(F)(F)F)CC1
InChIInChI=1S/C11H11BrF4N2/c12-7-5-9(10(17-6-7)11(14,15)16)18-3-1-8(13)2-4-18/h5-6,8H,1-4H2
InChIKeySGHURRHSZKJVBY-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.80
Rot. Bonds1

About 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine

5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 135388007) has the molecular formula C11H11BrF4N2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID135388007
Molecular FormulaC11H11BrF4N2
Molecular Weight327.12 g/mol
Exact Mass326.00
IUPAC Name5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
SMILESFC1CCN(c2cc(Br)cnc2C(F)(F)F)CC1
InChIInChI=1S/C11H11BrF4N2/c12-7-5-9(10(17-6-7)11(14,15)16)18-3-1-8(13)2-4-18/h5-6,8H,1-4H2
InChIKeySGHURRHSZKJVBY-UHFFFAOYSA-N
XLogP3.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine (CID 135388007) is 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine is FC1CCN(c2cc(Br)cnc2C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is SGHURRHSZKJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4N2/c12-7-5-9(10(17-6-7)11(14,15)16)18-3-1-8(13)2-4-18/h5-6,8H,1-4H2.
What are the key properties of 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 327.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 135388007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).