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

C11H13F2NO2 — CID 134673374

IUPACethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C)ccnc1C(F)F
InChIInChI=1S/C11H13F2NO2/c1-3-16-9(15)6-8-7(2)4-5-14-10(8)11(12)13/h4-5,11H,3,6H2,1-2H3
InChIKeyDSJXJVCESNTGPO-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.43
Rot. Bonds4

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

ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate (PubChem CID 134673374) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
PubChem CID134673374
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C)ccnc1C(F)F
InChIInChI=1S/C11H13F2NO2/c1-3-16-9(15)6-8-7(2)4-5-14-10(8)11(12)13/h4-5,11H,3,6H2,1-2H3
InChIKeyDSJXJVCESNTGPO-UHFFFAOYSA-N
XLogP2.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.43
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)-3-pyridinyl]acetate
CID 134663371
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
ethyl 2-[4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029498
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029266
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate (CID 134673374) is ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate is CCOC(=O)Cc1c(C)ccnc1C(F)F.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate?
The InChIKey is DSJXJVCESNTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-3-16-9(15)6-8-7(2)4-5-14-10(8)11(12)13/h4-5,11H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate?
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate has a molecular weight of 229.23 g/mol, XLogP of 2.43, 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)-4-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 134673374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).