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

C11H13F2NO3 — CID 133102888

IUPACethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)F)c(O)cc1C
InChIInChI=1S/C11H13F2NO3/c1-3-17-9(16)5-7-6(2)4-8(15)10(14-7)11(12)13/h4,11,15H,3,5H2,1-2H3
InChIKeyCOXLQBPZHRBSTM-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.14
Rot. Bonds4

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

ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate (PubChem CID 133102888) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
PubChem CID133102888
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)F)c(O)cc1C
InChIInChI=1S/C11H13F2NO3/c1-3-17-9(16)5-7-6(2)4-8(15)10(14-7)11(12)13/h4,11,15H,3,5H2,1-2H3
InChIKeyCOXLQBPZHRBSTM-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

ethyl 2-[2-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102537
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134683603
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104334
ethyl 2-[3-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 171029636
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
ethyl 2-[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]acetate
CID 133101760
ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133099778
ethyl 2-[3-(difluoromethyl)-6-methoxy-4-methyl-2-pyridinyl]acetate
CID 133100324
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate (CID 133102888) is ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate is CCOC(=O)Cc1nc(C(F)F)c(O)cc1C.
What is the InChIKey of ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate?
The InChIKey is COXLQBPZHRBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-3-17-9(16)5-7-6(2)4-8(15)10(14-7)11(12)13/h4,11,15H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate?
ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-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-3-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 133102888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).