3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine

C11H15FN2 — CID 155694847

IUPAC3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine
SMILESCC1(C)C[C@H](Cc2cncc(F)c2)N1
InChIInChI=1S/C11H15FN2/c1-11(2)5-10(14-11)4-8-3-9(12)7-13-6-8/h3,6-7,10,14H,4-5H2,1-2H3/t10-/m0/s1
InChIKeyAJMDMKQYYWEUJC-JTQLQIEISA-N
MW194.25 g/mol
LogP1.90
Rot. Bonds2

About 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine

3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine (PubChem CID 155694847) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine
PubChem CID155694847
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine
SMILESCC1(C)C[C@H](Cc2cncc(F)c2)N1
InChIInChI=1S/C11H15FN2/c1-11(2)5-10(14-11)4-8-3-9(12)7-13-6-8/h3,6-7,10,14H,4-5H2,1-2H3/t10-/m0/s1
InChIKeyAJMDMKQYYWEUJC-JTQLQIEISA-N
XLogP1.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
CID 155127632
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine
CID 172524037
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
N-[(5-fluoro-3-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
CID 126787216
(3aR,6aS)-5-[(5-fluoro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660916
trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 131008593
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
[(2S,5R)-5-(5-fluoro-3-pyridinyl)-2-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 66847814
1-[(5-fluoro-3-pyridinyl)methyl]cyclopentan-1-amine
CID 130515276
2-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-2,8-diazaspiro[4.5]decane
CID 154761920

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine?
The IUPAC name of 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine (CID 155694847) is 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine?
The canonical SMILES for 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine is CC1(C)C[C@H](Cc2cncc(F)c2)N1.
What is the InChIKey of 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine?
The InChIKey is AJMDMKQYYWEUJC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15FN2/c1-11(2)5-10(14-11)4-8-3-9(12)7-13-6-8/h3,6-7,10,14H,4-5H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine?
3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine has a molecular weight of 194.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4,4-dimethylazetidin-2-yl]methyl]-5-fluoropyridine is sourced from PubChem (CID 155694847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).