2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine

C17H22ClF2N3O — CID 90015405

IUPAC2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine
SMILESFC1(F)CCN(c2cc(C3CCN(C4COC4)CC3)cc(Cl)n2)C1
InChIInChI=1S/C17H22ClF2N3O/c18-15-7-13(8-16(21-15)23-6-3-17(19,20)11-23)12-1-4-22(5-2-12)14-9-24-10-14/h7-8,12,14H,1-6,9-11H2
InChIKeyAWBCUOJVSVJBQT-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine (PubChem CID 90015405) has the molecular formula C17H22ClF2N3O and a molecular weight of 357.83 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine
PubChem CID90015405
Molecular FormulaC17H22ClF2N3O
Molecular Weight357.83 g/mol
Exact Mass357.14
IUPAC Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine
SMILESFC1(F)CCN(c2cc(C3CCN(C4COC4)CC3)cc(Cl)n2)C1
InChIInChI=1S/C17H22ClF2N3O/c18-15-7-13(8-16(21-15)23-6-3-17(19,20)11-23)12-1-4-22(5-2-12)14-9-24-10-14/h7-8,12,14H,1-6,9-11H2
InChIKeyAWBCUOJVSVJBQT-UHFFFAOYSA-N
XLogP3.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine?
The IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine (CID 90015405) is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine.
What is the SMILES notation for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine?
The canonical SMILES for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine is FC1(F)CCN(c2cc(C3CCN(C4COC4)CC3)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine?
The InChIKey is AWBCUOJVSVJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF2N3O/c18-15-7-13(8-16(21-15)23-6-3-17(19,20)11-23)12-1-4-22(5-2-12)14-9-24-10-14/h7-8,12,14H,1-6,9-11H2.
What are the key properties of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine?
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine has a molecular weight of 357.83 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine is sourced from PubChem (CID 90015405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).