ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate

C11H13F2NO4 — CID 133103446

IUPACethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(OC)c(O)c1C(F)F
InChIInChI=1S/C11H13F2NO4/c1-3-18-7(15)4-6-5-14-11(17-2)9(16)8(6)10(12)13/h5,10,16H,3-4H2,1-2H3
InChIKeyJYOUZYZNPRCBLA-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.84
Rot. Bonds5

About ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate

ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate (PubChem CID 133103446) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
PubChem CID133103446
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(OC)c(O)c1C(F)F
InChIInChI=1S/C11H13F2NO4/c1-3-18-7(15)4-6-5-14-11(17-2)9(16)8(6)10(12)13/h5,10,16H,3-4H2,1-2H3
InChIKeyJYOUZYZNPRCBLA-UHFFFAOYSA-N
XLogP1.84
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669265
ethyl 2-[5-chloro-3-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 134685478
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
ethyl 2-[5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679121
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
ethyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102071
ethyl 2-[5-hydroxy-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659556

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate (CID 133103446) is ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(OC)c(O)c1C(F)F.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate?
The InChIKey is JYOUZYZNPRCBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-3-18-7(15)4-6-5-14-11(17-2)9(16)8(6)10(12)13/h5,10,16H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate?
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate has a molecular weight of 261.22 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 133103446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).