ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate

C11H13F2NO3 — CID 133102899

IUPACethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(O)c(C(F)F)nc1C
InChIInChI=1S/C11H13F2NO3/c1-3-17-9(16)5-7-4-8(15)10(11(12)13)14-6(7)2/h4,11,15H,3,5H2,1-2H3
InChIKeyUCXFJOYQQAKFID-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.14
Rot. Bonds4

About ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate

ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate (PubChem CID 133102899) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
PubChem CID133102899
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(O)c(C(F)F)nc1C
InChIInChI=1S/C11H13F2NO3/c1-3-17-9(16)5-7-4-8(15)10(11(12)13)14-6(7)2/h4,11,15H,3,5H2,1-2H3
InChIKeyUCXFJOYQQAKFID-UHFFFAOYSA-N
XLogP2.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133103275
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
ethyl 2-[2-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102537
ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
CID 133102888
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085
ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate
CID 151319204
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
6-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxamide
CID 118837404
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134669121
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate (CID 133102899) is ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate is CCOC(=O)Cc1cc(O)c(C(F)F)nc1C.
What is the InChIKey of ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
The InChIKey is UCXFJOYQQAKFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-3-17-9(16)5-7-4-8(15)10(11(12)13)14-6(7)2/h4,11,15H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate has a molecular weight of 245.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 133102899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).