methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate

C10H8F5NO3 — CID 133102419

IUPACmethyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H8F5NO3/c1-19-7(17)2-4-5(10(13,14)15)3-6(8(11)12)16-9(4)18/h3,8H,2H2,1H3,(H,16,18)
InChIKeyYWRDIIJGLRBAHH-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.05
Rot. Bonds3

About methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate

methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate (PubChem CID 133102419) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
PubChem CID133102419
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H8F5NO3/c1-19-7(17)2-4-5(10(13,14)15)3-6(8(11)12)16-9(4)18/h3,8H,2H2,1H3,(H,16,18)
InChIKeyYWRDIIJGLRBAHH-UHFFFAOYSA-N
XLogP2.05
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134662199
methyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133102630
methyl 2-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093219
methyl 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
methyl 2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100700
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133104001
6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085380
2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 133101825
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133093512
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate (CID 133102419) is methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate is COC(=O)Cc1c(C(F)(F)F)cc(C(F)F)[nH]c1=O.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The InChIKey is YWRDIIJGLRBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-19-7(17)2-4-5(10(13,14)15)3-6(8(11)12)16-9(4)18/h3,8H,2H2,1H3,(H,16,18).
What are the key properties of methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate has a molecular weight of 285.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133102419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).