2-[(3-fluoroazetidin-3-yl)methyl]pyridine

C9H11FN2 — CID 112563329

IUPAC2-[(3-fluoroazetidin-3-yl)methyl]pyridine
SMILESFC1(Cc2ccccn2)CNC1
InChIInChI=1S/C9H11FN2/c10-9(6-11-7-9)5-8-3-1-2-4-12-8/h1-4,11H,5-7H2
InChIKeyRPMYXHZIHNWYBX-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.94
Rot. Bonds2

About 2-[(3-fluoroazetidin-3-yl)methyl]pyridine

2-[(3-fluoroazetidin-3-yl)methyl]pyridine (PubChem CID 112563329) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-[(3-fluoroazetidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3-fluoroazetidin-3-yl)methyl]pyridine
PubChem CID112563329
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name2-[(3-fluoroazetidin-3-yl)methyl]pyridine
SMILESFC1(Cc2ccccn2)CNC1
InChIInChI=1S/C9H11FN2/c10-9(6-11-7-9)5-8-3-1-2-4-12-8/h1-4,11H,5-7H2
InChIKeyRPMYXHZIHNWYBX-UHFFFAOYSA-N
XLogP0.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
2-(1-adamantylmethyl)pyridine
CID 584969
1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
2-methyl-4-(pyridin-2-ylmethyl)piperidin-4-ol
CID 112709112
ethane;2-ethylpyridine
CID 91102000
ethane;pyridin-2-ylmethanamine
CID 90791011
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde
CID 130680563
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957
2-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 53398196
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoroazetidin-3-yl)methyl]pyridine?
The IUPAC name of 2-[(3-fluoroazetidin-3-yl)methyl]pyridine (CID 112563329) is 2-[(3-fluoroazetidin-3-yl)methyl]pyridine.
What is the SMILES notation for 2-[(3-fluoroazetidin-3-yl)methyl]pyridine?
The canonical SMILES for 2-[(3-fluoroazetidin-3-yl)methyl]pyridine is FC1(Cc2ccccn2)CNC1.
What is the InChIKey of 2-[(3-fluoroazetidin-3-yl)methyl]pyridine?
The InChIKey is RPMYXHZIHNWYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-9(6-11-7-9)5-8-3-1-2-4-12-8/h1-4,11H,5-7H2.
What are the key properties of 2-[(3-fluoroazetidin-3-yl)methyl]pyridine?
2-[(3-fluoroazetidin-3-yl)methyl]pyridine has a molecular weight of 166.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoroazetidin-3-yl)methyl]pyridine is sourced from PubChem (CID 112563329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).