ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate

C11H10F5NO4 — CID 134660644

IUPACethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)c(OC(F)(F)F)c(C(F)F)[nH]1
InChIInChI=1S/C11H10F5NO4/c1-2-20-7(19)4-5-3-6(18)9(21-11(14,15)16)8(17-5)10(12)13/h3,10H,2,4H2,1H3,(H,17,18)
InChIKeyKEGFYGCALJQJNP-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.32
Rot. Bonds5

About ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate

ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (PubChem CID 134660644) has the molecular formula C11H10F5NO4 and a molecular weight of 315.19 g/mol. Its IUPAC name is ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
PubChem CID134660644
Molecular FormulaC11H10F5NO4
Molecular Weight315.19 g/mol
Exact Mass315.05
IUPAC Nameethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)c(OC(F)(F)F)c(C(F)F)[nH]1
InChIInChI=1S/C11H10F5NO4/c1-2-20-7(19)4-5-3-6(18)9(21-11(14,15)16)8(17-5)10(12)13/h3,10H,2,4H2,1H3,(H,17,18)
InChIKeyKEGFYGCALJQJNP-UHFFFAOYSA-N
XLogP2.32
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (CID 134660644) is ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is CCOC(=O)Cc1cc(=O)c(OC(F)(F)F)c(C(F)F)[nH]1.
What is the InChIKey of ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The InChIKey is KEGFYGCALJQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO4/c1-2-20-7(19)4-5-3-6(18)9(21-11(14,15)16)8(17-5)10(12)13/h3,10H,2,4H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate has a molecular weight of 315.19 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134660644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).