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

C10H11F2NO3 — CID 133103275

IUPACmethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(O)c(C(F)F)nc1C
InChIInChI=1S/C10H11F2NO3/c1-5-6(4-8(15)16-2)3-7(14)9(13-5)10(11)12/h3,10,14H,4H2,1-2H3
InChIKeyXGRDCLJCOJZBCT-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.75
Rot. Bonds3

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

methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate (PubChem CID 133103275) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
PubChem CID133103275
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Namemethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(O)c(C(F)F)nc1C
InChIInChI=1S/C10H11F2NO3/c1-5-6(4-8(15)16-2)3-7(14)9(13-5)10(11)12/h3,10,14H,4H2,1-2H3
InChIKeyXGRDCLJCOJZBCT-UHFFFAOYSA-N
XLogP1.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899
methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
CID 133100381
methyl 2-[5-hydroxy-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658771
methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029252
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
CID 133100382
ethyl 2-[2-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102537
6-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxamide
CID 118837404
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133104001
methyl 2-[5-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029223
methyl 2-[2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134668549

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate (CID 133103275) is methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate is COC(=O)Cc1cc(O)c(C(F)F)nc1C.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
The InChIKey is XGRDCLJCOJZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-5-6(4-8(15)16-2)3-7(14)9(13-5)10(11)12/h3,10,14H,4H2,1-2H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate has a molecular weight of 231.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 133103275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).