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

C10H11F2NO3 — CID 133093261

IUPACethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H11F2NO3/c1-2-16-9(15)5-7-3-6(10(11)12)4-8(14)13-7/h3-4,10H,2,5H2,1H3,(H,13,14)
InChIKeyGZCANUUBABUFRX-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.42
Rot. Bonds4

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

ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate (PubChem CID 133093261) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
PubChem CID133093261
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H11F2NO3/c1-2-16-9(15)5-7-3-6(10(11)12)4-8(14)13-7/h3-4,10H,2,5H2,1H3,(H,13,14)
InChIKeyGZCANUUBABUFRX-UHFFFAOYSA-N
XLogP1.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate (CID 133093261) is ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate is CCOC(=O)Cc1cc(C(F)F)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is GZCANUUBABUFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-2-16-9(15)5-7-3-6(10(11)12)4-8(14)13-7/h3-4,10H,2,5H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 231.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 133093261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).