2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine

C13H16FN5O — CID 172904927

IUPAC2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
SMILESFc1cccc(OC2CCN(CCn3nccn3)C2)n1
InChIInChI=1S/C13H16FN5O/c14-12-2-1-3-13(17-12)20-11-4-7-18(10-11)8-9-19-15-5-6-16-19/h1-3,5-6,11H,4,7-10H2
InChIKeyIHMJEFGOZJVGCI-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.97
Rot. Bonds5

About 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine

2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine (PubChem CID 172904927) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
PubChem CID172904927
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
SMILESFc1cccc(OC2CCN(CCn3nccn3)C2)n1
InChIInChI=1S/C13H16FN5O/c14-12-2-1-3-13(17-12)20-11-4-7-18(10-11)8-9-19-15-5-6-16-19/h1-3,5-6,11H,4,7-10H2
InChIKeyIHMJEFGOZJVGCI-UHFFFAOYSA-N
XLogP0.97
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine (CID 172904927) is 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine is Fc1cccc(OC2CCN(CCn3nccn3)C2)n1.
What is the InChIKey of 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine?
The InChIKey is IHMJEFGOZJVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c14-12-2-1-3-13(17-12)20-11-4-7-18(10-11)8-9-19-15-5-6-16-19/h1-3,5-6,11H,4,7-10H2.
What are the key properties of 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine?
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine has a molecular weight of 277.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 172904927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).