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

C11H13F2NO4 — CID 133103507

IUPACethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(OC)c(C(F)F)cc1O
InChIInChI=1S/C11H13F2NO4/c1-3-18-9(16)5-7-8(15)4-6(10(12)13)11(14-7)17-2/h4,10,15H,3,5H2,1-2H3
InChIKeyPJLKVQUKGBUMHS-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.84
Rot. Bonds5

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

ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate (PubChem CID 133103507) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
PubChem CID133103507
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(OC)c(C(F)F)cc1O
InChIInChI=1S/C11H13F2NO4/c1-3-18-9(16)5-7-8(15)4-6(10(12)13)11(14-7)17-2/h4,10,15H,3,5H2,1-2H3
InChIKeyPJLKVQUKGBUMHS-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-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370
methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798
ethyl 2-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
CID 133102888
ethyl 2-[5-(chloromethyl)-3-hydroxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660731
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[6-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134675103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate (CID 133103507) is ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate is CCOC(=O)Cc1nc(OC)c(C(F)F)cc1O.
What is the InChIKey of ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate?
The InChIKey is PJLKVQUKGBUMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-3-18-9(16)5-7-8(15)4-6(10(12)13)11(14-7)17-2/h4,10,15H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate?
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-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-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 133103507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).