2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine

C11H15FN2 — CID 177348339

IUPAC2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine
SMILESCCC1CN(Cc2ccc(F)cn2)C1
InChIInChI=1S/C11H15FN2/c1-2-9-6-14(7-9)8-11-4-3-10(12)5-13-11/h3-5,9H,2,6-8H2,1H3
InChIKeyBRNVRVCEGQNZRZ-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.06
Rot. Bonds3

About 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine

2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine (PubChem CID 177348339) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine
PubChem CID177348339
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine
SMILESCCC1CN(Cc2ccc(F)cn2)C1
InChIInChI=1S/C11H15FN2/c1-2-9-6-14(7-9)8-11-4-3-10(12)5-13-11/h3-5,9H,2,6-8H2,1H3
InChIKeyBRNVRVCEGQNZRZ-UHFFFAOYSA-N
XLogP2.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine?
The IUPAC name of 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine (CID 177348339) is 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine.
What is the SMILES notation for 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine?
The canonical SMILES for 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine is CCC1CN(Cc2ccc(F)cn2)C1.
What is the InChIKey of 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine?
The InChIKey is BRNVRVCEGQNZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-2-9-6-14(7-9)8-11-4-3-10(12)5-13-11/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine?
2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine has a molecular weight of 194.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine is sourced from PubChem (CID 177348339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).