6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C11H12F2N4 — CID 86687144

IUPAC6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1C[C@H](F)C[C@H]1c1nnc2ccc(F)cn12
InChIInChI=1S/C11H12F2N4/c1-16-5-8(13)4-9(16)11-15-14-10-3-2-7(12)6-17(10)11/h2-3,6,8-9H,4-5H2,1H3/t8-,9+/m1/s1
InChIKeyYCZIIVMEIXVYSB-BDAKNGLRSA-N
MW238.24 g/mol
LogP1.58
Rot. Bonds1

About 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86687144) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86687144
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1C[C@H](F)C[C@H]1c1nnc2ccc(F)cn12
InChIInChI=1S/C11H12F2N4/c1-16-5-8(13)4-9(16)11-15-14-10-3-2-7(12)6-17(10)11/h2-3,6,8-9H,4-5H2,1H3/t8-,9+/m1/s1
InChIKeyYCZIIVMEIXVYSB-BDAKNGLRSA-N
XLogP1.58
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 86687144) is 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is CN1C[C@H](F)C[C@H]1c1nnc2ccc(F)cn12.
What is the InChIKey of 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YCZIIVMEIXVYSB-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-16-5-8(13)4-9(16)11-15-14-10-3-2-7(12)6-17(10)11/h2-3,6,8-9H,4-5H2,1H3/t8-,9+/m1/s1.
What are the key properties of 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 238.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86687144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).