ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate

C10H10F3NO2 — CID 133091163

IUPACethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccnc(C(F)F)c1F
InChIInChI=1S/C10H10F3NO2/c1-2-16-7(15)5-6-3-4-14-9(8(6)11)10(12)13/h3-4,10H,2,5H2,1H3
InChIKeyHWSXHPJFIGDLDA-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate

ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate (PubChem CID 133091163) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
PubChem CID133091163
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Nameethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccnc(C(F)F)c1F
InChIInChI=1S/C10H10F3NO2/c1-2-16-7(15)5-6-3-4-14-9(8(6)11)10(12)13/h3-4,10H,2,5H2,1H3
InChIKeyHWSXHPJFIGDLDA-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104427
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134669121
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029498
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate (CID 133091163) is ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate is CCOC(=O)Cc1ccnc(C(F)F)c1F.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate?
The InChIKey is HWSXHPJFIGDLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-16-7(15)5-6-3-4-14-9(8(6)11)10(12)13/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate?
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate has a molecular weight of 233.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate is sourced from PubChem (CID 133091163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).