(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone

C12H15FN2O — CID 63971232

IUPAC(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
SMILESCCC1CCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H15FN2O/c1-2-10-4-3-7-15(10)12(16)9-5-6-11(13)14-8-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyFISSQWZJCJUOIM-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.24
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone

(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone (PubChem CID 63971232) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
PubChem CID63971232
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
SMILESCCC1CCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H15FN2O/c1-2-10-4-3-7-15(10)12(16)9-5-6-11(13)14-8-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyFISSQWZJCJUOIM-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.24
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

5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone (CID 63971232) is (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone is CCC1CCCN1C(=O)c1ccc(F)nc1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
The InChIKey is FISSQWZJCJUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-10-4-3-7-15(10)12(16)9-5-6-11(13)14-8-9/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 63971232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).