3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine

C16H17FN2O — CID 54580845

IUPAC3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine
SMILESCOc1cc(F)ccc1-c1cncc(C2CCCN2)c1
InChIInChI=1S/C16H17FN2O/c1-20-16-8-13(17)4-5-14(16)11-7-12(10-18-9-11)15-3-2-6-19-15/h4-5,7-10,15,19H,2-3,6H2,1H3
InChIKeyVZBXSRQRMPXTGG-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.32
Rot. Bonds3

About 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine

3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine (PubChem CID 54580845) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine
PubChem CID54580845
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine
SMILESCOc1cc(F)ccc1-c1cncc(C2CCCN2)c1
InChIInChI=1S/C16H17FN2O/c1-20-16-8-13(17)4-5-14(16)11-7-12(10-18-9-11)15-3-2-6-19-15/h4-5,7-10,15,19H,2-3,6H2,1H3
InChIKeyVZBXSRQRMPXTGG-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine (CID 54580845) is 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine is COc1cc(F)ccc1-c1cncc(C2CCCN2)c1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine?
The InChIKey is VZBXSRQRMPXTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-20-16-8-13(17)4-5-14(16)11-7-12(10-18-9-11)15-3-2-6-19-15/h4-5,7-10,15,19H,2-3,6H2,1H3.
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine?
3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine has a molecular weight of 272.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 54580845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).