(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone

C16H15FN2O — CID 115497092

IUPAC(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCC1c1ccccc1
InChIInChI=1S/C16H15FN2O/c17-15-10-4-8-13(18-15)16(20)19-11-5-9-14(19)12-6-2-1-3-7-12/h1-4,6-8,10,14H,5,9,11H2
InChIKeyXMMWNEOHOGGUJJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds2

About (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone

(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 115497092) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID115497092
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCC1c1ccccc1
InChIInChI=1S/C16H15FN2O/c17-15-10-4-8-13(18-15)16(20)19-11-5-9-14(19)12-6-2-1-3-7-12/h1-4,6-8,10,14H,5,9,11H2
InChIKeyXMMWNEOHOGGUJJ-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518
[6-(2-chlorophenyl)-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
CID 58211141
(6-fluoro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 109389072
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
1-[(2S)-1-(6-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533268
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 114559410
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 115497092) is (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1cccc(F)n1)N1CCCC1c1ccccc1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is XMMWNEOHOGGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-10-4-8-13(18-15)16(20)19-11-5-9-14(19)12-6-2-1-3-7-12/h1-4,6-8,10,14H,5,9,11H2.
What are the key properties of (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115497092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).