methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate

C11H14FN2O2P — CID 135234223

IUPACmethyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(N2CC(F)(P)C2)n1
InChIInChI=1S/C11H14FN2O2P/c1-16-10(15)5-8-3-2-4-9(13-8)14-6-11(12,17)7-14/h2-4H,5-7,17H2,1H3
InChIKeyPFAHZLFMCMVOOI-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.16
Rot. Bonds3

About methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate

methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate (PubChem CID 135234223) has the molecular formula C11H14FN2O2P and a molecular weight of 256.22 g/mol. Its IUPAC name is methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate
PubChem CID135234223
Molecular FormulaC11H14FN2O2P
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Namemethyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(N2CC(F)(P)C2)n1
InChIInChI=1S/C11H14FN2O2P/c1-16-10(15)5-8-3-2-4-9(13-8)14-6-11(12,17)7-14/h2-4H,5-7,17H2,1H3
InChIKeyPFAHZLFMCMVOOI-UHFFFAOYSA-N
XLogP1.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate (CID 135234223) is methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate is COC(=O)Cc1cccc(N2CC(F)(P)C2)n1.
What is the InChIKey of methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate?
The InChIKey is PFAHZLFMCMVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN2O2P/c1-16-10(15)5-8-3-2-4-9(13-8)14-6-11(12,17)7-14/h2-4H,5-7,17H2,1H3.
What are the key properties of methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate?
methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate has a molecular weight of 256.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate is sourced from PubChem (CID 135234223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).