7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

C11H11BrF2N4 — CID 177042754

IUPAC7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1(F)CCN(c2nc3cc(Br)ccn3n2)CC1
InChIInChI=1S/C11H11BrF2N4/c12-8-1-4-18-9(7-8)15-10(16-18)17-5-2-11(13,14)3-6-17/h1,4,7H,2-3,5-6H2
InChIKeyBDHBJKWJUOUUMY-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.73
Rot. Bonds1

About 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 177042754) has the molecular formula C11H11BrF2N4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID177042754
Molecular FormulaC11H11BrF2N4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1(F)CCN(c2nc3cc(Br)ccn3n2)CC1
InChIInChI=1S/C11H11BrF2N4/c12-8-1-4-18-9(7-8)15-10(16-18)17-5-2-11(13,14)3-6-17/h1,4,7H,2-3,5-6H2
InChIKeyBDHBJKWJUOUUMY-UHFFFAOYSA-N
XLogP2.73
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 177042754) is 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is FC1(F)CCN(c2nc3cc(Br)ccn3n2)CC1.
What is the InChIKey of 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BDHBJKWJUOUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4/c12-8-1-4-18-9(7-8)15-10(16-18)17-5-2-11(13,14)3-6-17/h1,4,7H,2-3,5-6H2.
What are the key properties of 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 317.14 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 177042754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).