methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate

C9H9F2NO3 — CID 133093227

IUPACmethyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)cncc1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-15-8(14)2-5-6(9(10)11)3-12-4-7(5)13/h3-4,9,13H,2H2,1H3
InChIKeyBYOXDFYBAMBZJC-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate

methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate (PubChem CID 133093227) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
PubChem CID133093227
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Namemethyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)cncc1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-15-8(14)2-5-6(9(10)11)3-12-4-7(5)13/h3-4,9,13H,2H2,1H3
InChIKeyBYOXDFYBAMBZJC-UHFFFAOYSA-N
XLogP1.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 134673333
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 133103983
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102752
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133093498
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate (CID 133093227) is methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate is COC(=O)Cc1c(O)cncc1C(F)F.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
The InChIKey is BYOXDFYBAMBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-15-8(14)2-5-6(9(10)11)3-12-4-7(5)13/h3-4,9,13H,2H2,1H3.
What are the key properties of methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate has a molecular weight of 217.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate is sourced from PubChem (CID 133093227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).