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

C14H21FN2 — CID 157256735

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CCN2CC(F)C2)=CN1C(C)C
InChIInChI=1S/C14H21FN2/c1-11(2)17-8-13(5-4-12(17)3)6-7-16-9-14(15)10-16/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3
InChIKeyNGSCBYGQXQHOLA-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.71
Rot. Bonds4

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

5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine (PubChem CID 157256735) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
PubChem CID157256735
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CCN2CC(F)C2)=CN1C(C)C
InChIInChI=1S/C14H21FN2/c1-11(2)17-8-13(5-4-12(17)3)6-7-16-9-14(15)10-16/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3
InChIKeyNGSCBYGQXQHOLA-UHFFFAOYSA-N
XLogP2.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
CID 59955801
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
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
(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
CID 146260476
4-N-ethyl-5-fluoro-4-N-[2-(1-methylazetidin-3-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine
CID 146517570
2-Methylidene-3-prop-1-en-2-yl-1-[2-[3-(trifluoromethyl)azetidin-1-yl]ethyl]pyridine
CID 172375730
2-(1-cyclobutylidene-2-fluoroethyl)-1-methyl-2H-pyridine
CID 144681265
1-Butyl-3-fluoro-5-methyl-2-methylidenepyridine
CID 149568349
3-[(3-Fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 155745906
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine (CID 157256735) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine is C=C1C=CC(CCN2CC(F)C2)=CN1C(C)C.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
The InChIKey is NGSCBYGQXQHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(2)17-8-13(5-4-12(17)3)6-7-16-9-14(15)10-16/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine has a molecular weight of 236.33 g/mol, XLogP of 2.71, 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]-2-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 157256735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).