(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone

C12H15FN2O — CID 115686935

IUPAC(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
SMILESCCC1CCN(C(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C12H15FN2O/c1-2-9-4-6-15(8-9)12(16)10-3-5-14-11(13)7-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyUSCUZRASPYDIPB-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.09
Rot. Bonds2

About (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone

(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone (PubChem CID 115686935) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
PubChem CID115686935
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
SMILESCCC1CCN(C(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C12H15FN2O/c1-2-9-4-6-15(8-9)12(16)10-3-5-14-11(13)7-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyUSCUZRASPYDIPB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547190
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(2-fluoro-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 61295127
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
The IUPAC name of (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone (CID 115686935) is (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone is CCC1CCN(C(=O)c2ccnc(F)c2)C1.
What is the InChIKey of (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
The InChIKey is USCUZRASPYDIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-9-4-6-15(8-9)12(16)10-3-5-14-11(13)7-10/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone?
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 115686935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).