1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine

C13H17ClFN3O — CID 134605497

IUPAC1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine
SMILESCc1cc(Cl)c(F)c(N2CCN(C3COC3)CC2)n1
InChIInChI=1S/C13H17ClFN3O/c1-9-6-11(14)12(15)13(16-9)18-4-2-17(3-5-18)10-7-19-8-10/h6,10H,2-5,7-8H2,1H3
InChIKeyGFMTYRXOQODZRX-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.70
Rot. Bonds2

About 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine

1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine (PubChem CID 134605497) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine
PubChem CID134605497
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine
SMILESCc1cc(Cl)c(F)c(N2CCN(C3COC3)CC2)n1
InChIInChI=1S/C13H17ClFN3O/c1-9-6-11(14)12(15)13(16-9)18-4-2-17(3-5-18)10-7-19-8-10/h6,10H,2-5,7-8H2,1H3
InChIKeyGFMTYRXOQODZRX-UHFFFAOYSA-N
XLogP1.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine (CID 134605497) is 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine is Cc1cc(Cl)c(F)c(N2CCN(C3COC3)CC2)n1.
What is the InChIKey of 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine?
The InChIKey is GFMTYRXOQODZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-9-6-11(14)12(15)13(16-9)18-4-2-17(3-5-18)10-7-19-8-10/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine?
1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine has a molecular weight of 285.75 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 134605497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).