2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine

C16H18FN3O2 — CID 171999952

IUPAC2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
SMILESCOc1ccc(CN2CCC(Oc3cccc(F)n3)C2)cn1
InChIInChI=1S/C16H18FN3O2/c1-21-15-6-5-12(9-18-15)10-20-8-7-13(11-20)22-16-4-2-3-14(17)19-16/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyLGOJTVOWCMVIKE-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.28
Rot. Bonds5

About 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine

2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine (PubChem CID 171999952) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
PubChem CID171999952
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
SMILESCOc1ccc(CN2CCC(Oc3cccc(F)n3)C2)cn1
InChIInChI=1S/C16H18FN3O2/c1-21-15-6-5-12(9-18-15)10-20-8-7-13(11-20)22-16-4-2-3-14(17)19-16/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyLGOJTVOWCMVIKE-UHFFFAOYSA-N
XLogP2.28
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine (CID 171999952) is 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine is COc1ccc(CN2CCC(Oc3cccc(F)n3)C2)cn1.
What is the InChIKey of 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine?
The InChIKey is LGOJTVOWCMVIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-21-15-6-5-12(9-18-15)10-20-8-7-13(11-20)22-16-4-2-3-14(17)19-16/h2-6,9,13H,7-8,10-11H2,1H3.
What are the key properties of 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine?
2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine has a molecular weight of 303.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 171999952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).