5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine

C15H23FN2 — CID 157256737

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=C(C)C(CCN2CC(F)C2)=CN1C(C)C
InChIInChI=1S/C15H23FN2/c1-11(2)18-8-14(12(3)7-13(18)4)5-6-17-9-15(16)10-17/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyFKTXPIIPULSJFW-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.10
Rot. Bonds4

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine (PubChem CID 157256737) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine
PubChem CID157256737
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=C(C)C(CCN2CC(F)C2)=CN1C(C)C
InChIInChI=1S/C15H23FN2/c1-11(2)18-8-14(12(3)7-13(18)4)5-6-17-9-15(16)10-17/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyFKTXPIIPULSJFW-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
2-(3-Fluorocyclohexa-1,5-dien-1-yl)-1-methylazetidine
CID 134386446
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
CID 146538057
2-ethyl-1-[1-(3-fluoro-4-pentylcyclohexa-1,3-dien-1-yl)ethenyl]-2H-azete
CID 156301177
5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine
CID 176690606
5-[2-(Azetidin-1-yl)ethyl]-1-(2,5-dimethylhex-1-en-3-yl)-2-methylidene-4-(trifluoromethyl)pyridine
CID 156728405
5-[(1-Fluoroazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
CID 157256731
2-fluoro-N,N-dimethyl-2-(2-methylidene-1-propan-2-yl-4-pyridinyl)ethanamine
CID 157256733
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
CID 157256735
N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 157402262
4-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
CID 160499774

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine (CID 157256737) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine is C=C1C=C(C)C(CCN2CC(F)C2)=CN1C(C)C.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine?
The InChIKey is FKTXPIIPULSJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(2)18-8-14(12(3)7-13(18)4)5-6-17-9-15(16)10-17/h7-8,11,15H,4-6,9-10H2,1-3H3.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine has a molecular weight of 250.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 157256737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).