4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine

C11H15FN2 — CID 104738401

IUPAC4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
SMILESCCC1(c2ccncc2F)CCCN1
InChIInChI=1S/C11H15FN2/c1-2-11(5-3-6-14-11)9-4-7-13-8-10(9)12/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyATBDOZUUZCGNNN-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.21
Rot. Bonds2

About 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine

4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine (PubChem CID 104738401) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
PubChem CID104738401
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
SMILESCCC1(c2ccncc2F)CCCN1
InChIInChI=1S/C11H15FN2/c1-2-11(5-3-6-14-11)9-4-7-13-8-10(9)12/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyATBDOZUUZCGNNN-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine
CID 79743122
5-(2-ethylpyrrolidin-2-yl)pyrimidine
CID 66466456
4-fluoro-4-(3-fluoro-4-pyridinyl)azepane
CID 104739540
2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
CID 66465325
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
2-ethyl-2-(2-fluoro-4,6-dimethylphenyl)pyrrolidine
CID 106881701
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
CID 66465348
4-(2-ethylpyrrolidin-2-yl)-1-methylpyrazole
CID 66466689
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
2-ethyl-2-(4-ethylphenyl)pyrrolidine
CID 66467145

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine?
The IUPAC name of 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine (CID 104738401) is 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine.
What is the SMILES notation for 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine?
The canonical SMILES for 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine is CCC1(c2ccncc2F)CCCN1.
What is the InChIKey of 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine?
The InChIKey is ATBDOZUUZCGNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-2-11(5-3-6-14-11)9-4-7-13-8-10(9)12/h4,7-8,14H,2-3,5-6H2,1H3.
What are the key properties of 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine?
4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine has a molecular weight of 194.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine is sourced from PubChem (CID 104738401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).