2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine

C13H19FN2 — CID 59955801

IUPAC2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
SMILESCCN1CCCC1=C(F)C1C=CC=CN1C
InChIInChI=1S/C13H19FN2/c1-3-16-10-6-8-12(16)13(14)11-7-4-5-9-15(11)2/h4-5,7,9,11H,3,6,8,10H2,1-2H3
InChIKeyMLEXZTMXRIYWRG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.67
Rot. Bonds2

About 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine

2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine (PubChem CID 59955801) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
PubChem CID59955801
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
SMILESCCN1CCCC1=C(F)C1C=CC=CN1C
InChIInChI=1S/C13H19FN2/c1-3-16-10-6-8-12(16)13(14)11-7-4-5-9-15(11)2/h4-5,7,9,11H,3,6,8,10H2,1-2H3
InChIKeyMLEXZTMXRIYWRG-UHFFFAOYSA-N
XLogP2.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine (CID 59955801) is 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine is CCN1CCCC1=C(F)C1C=CC=CN1C.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine?
The InChIKey is MLEXZTMXRIYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-16-10-6-8-12(16)13(14)11-7-4-5-9-15(11)2/h4-5,7,9,11H,3,6,8,10H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine?
2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine has a molecular weight of 222.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine is sourced from PubChem (CID 59955801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).