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

C10H11F2NO2 — CID 134663371

IUPACethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccnc1C(F)F
InChIInChI=1S/C10H11F2NO2/c1-2-15-8(14)6-7-4-3-5-13-9(7)10(11)12/h3-5,10H,2,6H2,1H3
InChIKeyRBOQWSNLSLYGRG-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.12
Rot. Bonds4

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

ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134663371) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134663371
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Nameethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccnc1C(F)F
InChIInChI=1S/C10H11F2NO2/c1-2-15-8(14)6-7-4-3-5-13-9(7)10(11)12/h3-5,10H,2,6H2,1H3
InChIKeyRBOQWSNLSLYGRG-UHFFFAOYSA-N
XLogP2.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
diethyl 2-(3-fluoro-2-pyridinyl)propanedioate;ethyl 2-(3-fluoro-2-pyridinyl)acetate
CID 159674340
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
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-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 2-(2-ethylphenyl)acetate
CID 45489731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate (CID 134663371) is ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cccnc1C(F)F.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is RBOQWSNLSLYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-2-15-8(14)6-7-4-3-5-13-9(7)10(11)12/h3-5,10H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 215.20 g/mol, XLogP of 2.12, 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-pyridinyl]acetate is sourced from PubChem (CID 134663371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).