methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate

C15H13F2NO3 — CID 177191263

IUPACmethyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2ccccc2=O)c(F)c1F
InChIInChI=1S/C15H13F2NO3/c1-21-13(20)8-10-5-6-11(15(17)14(10)16)9-18-7-3-2-4-12(18)19/h2-7H,8-9H2,1H3
InChIKeyMYQSJMJPOYBBFO-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate

methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate (PubChem CID 177191263) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
PubChem CID177191263
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Namemethyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2ccccc2=O)c(F)c1F
InChIInChI=1S/C15H13F2NO3/c1-21-13(20)8-10-5-6-11(15(17)14(10)16)9-18-7-3-2-4-12(18)19/h2-7H,8-9H2,1H3
InChIKeyMYQSJMJPOYBBFO-UHFFFAOYSA-N
XLogP1.89
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate (CID 177191263) is methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate is COC(=O)Cc1ccc(Cn2ccccc2=O)c(F)c1F.
What is the InChIKey of methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate?
The InChIKey is MYQSJMJPOYBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-21-13(20)8-10-5-6-11(15(17)14(10)16)9-18-7-3-2-4-12(18)19/h2-7H,8-9H2,1H3.
What are the key properties of methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate?
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate has a molecular weight of 293.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate is sourced from PubChem (CID 177191263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).