3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine

C11H15FN2 — CID 175088165

IUPAC3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine
SMILESCc1ccncc1CCN1CC(F)C1
InChIInChI=1S/C11H15FN2/c1-9-2-4-13-6-10(9)3-5-14-7-11(12)8-14/h2,4,6,11H,3,5,7-8H2,1H3
InChIKeyBCUZVOMADUWOFI-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.59
Rot. Bonds3

About 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine

3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine (PubChem CID 175088165) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine.

Molecular Properties

Compound Name3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine
PubChem CID175088165
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine
SMILESCc1ccncc1CCN1CC(F)C1
InChIInChI=1S/C11H15FN2/c1-9-2-4-13-6-10(9)3-5-14-7-11(12)8-14/h2,4,6,11H,3,5,7-8H2,1H3
InChIKeyBCUZVOMADUWOFI-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloroethyl)-4-methylpyridine
CID 65438533
tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
CID 172908006
1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine
CID 100627363
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
CID 146182789
3-(cyclopropylmethyl)-4-methylpyridine
CID 166091588
3-(cyclopropylmethyl)-4-methylpyridine;ethane
CID 166091587
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636
1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272541
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
N-methyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272321
N-methyl-N-[[4-[3-(4-methyl-3-pyridinyl)propyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 167853689

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine?
The IUPAC name of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine (CID 175088165) is 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine.
What is the SMILES notation for 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine?
The canonical SMILES for 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine is Cc1ccncc1CCN1CC(F)C1.
What is the InChIKey of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine?
The InChIKey is BCUZVOMADUWOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-9-2-4-13-6-10(9)3-5-14-7-11(12)8-14/h2,4,6,11H,3,5,7-8H2,1H3.
What are the key properties of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine?
3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine has a molecular weight of 194.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine is sourced from PubChem (CID 175088165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).