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

C12H12ClN3O3 — CID 174197193

IUPACmethyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ncccc2Cl)n(C)n1
InChIInChI=1S/C12H12ClN3O3/c1-16-9(12-8(13)4-3-5-14-12)6-10(15-16)19-7-11(17)18-2/h3-6H,7H2,1-2H3
InChIKeyFUOAQUOSUFXQKY-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.69
Rot. Bonds4

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

methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 174197193) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID174197193
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Namemethyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ncccc2Cl)n(C)n1
InChIInChI=1S/C12H12ClN3O3/c1-16-9(12-8(13)4-3-5-14-12)6-10(15-16)19-7-11(17)18-2/h3-6H,7H2,1-2H3
InChIKeyFUOAQUOSUFXQKY-UHFFFAOYSA-N
XLogP1.69
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.69
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-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (CID 174197193) is methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is COC(=O)COc1cc(-c2ncccc2Cl)n(C)n1.
What is the InChIKey of methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is FUOAQUOSUFXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-16-9(12-8(13)4-3-5-14-12)6-10(15-16)19-7-11(17)18-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 281.70 g/mol, XLogP of 1.69, 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-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 174197193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).