3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine

C11H10BrF5N2 — CID 146525899

IUPAC3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
SMILESFC1(F)CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H10BrF5N2/c12-7-1-2-8(18-9(7)11(15,16)17)19-5-3-10(13,14)4-6-19/h1-2H,3-6H2
InChIKeyHCDSVRLQJRWEFJ-UHFFFAOYSA-N
MW345.11 g/mol
LogP4.10
Rot. Bonds1

About 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine

3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 146525899) has the molecular formula C11H10BrF5N2 and a molecular weight of 345.11 g/mol. Its IUPAC name is 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID146525899
Molecular FormulaC11H10BrF5N2
Molecular Weight345.11 g/mol
Exact Mass343.99
IUPAC Name3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
SMILESFC1(F)CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H10BrF5N2/c12-7-1-2-8(18-9(7)11(15,16)17)19-5-3-10(13,14)4-6-19/h1-2H,3-6H2
InChIKeyHCDSVRLQJRWEFJ-UHFFFAOYSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine (CID 146525899) is 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine is FC1(F)CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is HCDSVRLQJRWEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF5N2/c12-7-1-2-8(18-9(7)11(15,16)17)19-5-3-10(13,14)4-6-19/h1-2H,3-6H2.
What are the key properties of 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine?
3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 345.11 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 146525899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).