3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine

C16H17FN2O — CID 91558572

IUPAC3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine
SMILESCOC1CCN(c2ccnc(-c3ccccc3)c2F)C1
InChIInChI=1S/C16H17FN2O/c1-20-13-8-10-19(11-13)14-7-9-18-16(15(14)17)12-5-3-2-4-6-12/h2-7,9,13H,8,10-11H2,1H3
InChIKeyFAJYRJUFEXMBIW-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.11
Rot. Bonds3

About 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine

3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine (PubChem CID 91558572) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine.

Molecular Properties

Compound Name3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine
PubChem CID91558572
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine
SMILESCOC1CCN(c2ccnc(-c3ccccc3)c2F)C1
InChIInChI=1S/C16H17FN2O/c1-20-13-8-10-19(11-13)14-7-9-18-16(15(14)17)12-5-3-2-4-6-12/h2-7,9,13H,8,10-11H2,1H3
InChIKeyFAJYRJUFEXMBIW-UHFFFAOYSA-N
XLogP3.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine
CID 122655925
4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
CID 103534309
2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
CID 143449306
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
CID 22641415
6-(3-methoxypyrrolidin-1-yl)quinolin-5-amine
CID 103530385
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
7-[(3R)-3-methoxypyrrolidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 95861445
4-[(3R)-3-methoxypyrrolidin-1-yl]-6-(5-methyl-1H-pyrazol-4-yl)quinoline;dihydrochloride
CID 68811812

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine?
The IUPAC name of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine (CID 91558572) is 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine.
What is the SMILES notation for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine?
The canonical SMILES for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine is COC1CCN(c2ccnc(-c3ccccc3)c2F)C1.
What is the InChIKey of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine?
The InChIKey is FAJYRJUFEXMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-20-13-8-10-19(11-13)14-7-9-18-16(15(14)17)12-5-3-2-4-6-12/h2-7,9,13H,8,10-11H2,1H3.
What are the key properties of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine?
3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine has a molecular weight of 272.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine is sourced from PubChem (CID 91558572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).