methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate

C12H12FN3O3 — CID 167062788

IUPACmethyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccncc2F)n(C)n1
InChIInChI=1S/C12H12FN3O3/c1-16-10(8-3-4-14-6-9(8)13)5-11(15-16)19-7-12(17)18-2/h3-6H,7H2,1-2H3
InChIKeyBWVLHERSCYTNJP-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate

methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 167062788) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID167062788
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Namemethyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccncc2F)n(C)n1
InChIInChI=1S/C12H12FN3O3/c1-16-10(8-3-4-14-6-9(8)13)5-11(15-16)19-7-12(17)18-2/h3-6H,7H2,1-2H3
InChIKeyBWVLHERSCYTNJP-UHFFFAOYSA-N
XLogP1.17
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (CID 167062788) is methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is COC(=O)COc1cc(-c2ccncc2F)n(C)n1.
What is the InChIKey of methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is BWVLHERSCYTNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-16-10(8-3-4-14-6-9(8)13)5-11(15-16)19-7-12(17)18-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 265.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 167062788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).