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

C9H11FN2 — CID 104737448

IUPAC3-[(3-fluoroazetidin-3-yl)methyl]pyridine
SMILESFC1(Cc2cccnc2)CNC1
InChIInChI=1S/C9H11FN2/c10-9(6-12-7-9)4-8-2-1-3-11-5-8/h1-3,5,12H,4,6-7H2
InChIKeyWTTLULQHRGKYMC-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.94
Rot. Bonds2

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

3-[(3-fluoroazetidin-3-yl)methyl]pyridine (PubChem CID 104737448) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-[(3-fluoroazetidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-fluoroazetidin-3-yl)methyl]pyridine
PubChem CID104737448
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name3-[(3-fluoroazetidin-3-yl)methyl]pyridine
SMILESFC1(Cc2cccnc2)CNC1
InChIInChI=1S/C9H11FN2/c10-9(6-12-7-9)4-8-2-1-3-11-5-8/h1-3,5,12H,4,6-7H2
InChIKeyWTTLULQHRGKYMC-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

3-(3-fluoroazetidin-3-yl)pyridine
CID 112563486
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
bis(pyridin-3-ylmethyl)azanium
CID 6946562
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde
CID 131187567
[1-(pyridin-3-ylmethyl)cyclopropyl]methanamine;dihydrochloride
CID 86277054
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
8-(pyridin-3-ylmethyl)spiro[4.5]decan-8-ol
CID 114819218
3-ethylpyridine
CID 10823
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoroazetidin-3-yl)methyl]pyridine?
The IUPAC name of 3-[(3-fluoroazetidin-3-yl)methyl]pyridine (CID 104737448) is 3-[(3-fluoroazetidin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[(3-fluoroazetidin-3-yl)methyl]pyridine?
The canonical SMILES for 3-[(3-fluoroazetidin-3-yl)methyl]pyridine is FC1(Cc2cccnc2)CNC1.
What is the InChIKey of 3-[(3-fluoroazetidin-3-yl)methyl]pyridine?
The InChIKey is WTTLULQHRGKYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-9(6-12-7-9)4-8-2-1-3-11-5-8/h1-3,5,12H,4,6-7H2.
What are the key properties of 3-[(3-fluoroazetidin-3-yl)methyl]pyridine?
3-[(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 3-[(3-fluoroazetidin-3-yl)methyl]pyridine is sourced from PubChem (CID 104737448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).