2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine

C16H17FN2O — CID 62916852

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
SMILESFc1cccc(OC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H17FN2O/c17-15-7-4-8-16(18-15)20-14-9-10-19(12-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyHBKMMSLLGASQIJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.87
Rot. Bonds4

About 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine

2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine (PubChem CID 62916852) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
PubChem CID62916852
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
SMILESFc1cccc(OC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H17FN2O/c17-15-7-4-8-16(18-15)20-14-9-10-19(12-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyHBKMMSLLGASQIJ-UHFFFAOYSA-N
XLogP2.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 171999952
2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
CID 172904787
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
CID 172904927
2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
CID 172904789
2-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyridine
CID 172893124
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
CID 115474532
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
2-cyclopentyloxy-6-fluoropyridine
CID 61227788

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine (CID 62916852) is 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine is Fc1cccc(OC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine?
The InChIKey is HBKMMSLLGASQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-7-4-8-16(18-15)20-14-9-10-19(12-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine?
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine has a molecular weight of 272.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine is sourced from PubChem (CID 62916852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).