methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate

C9H9F2NO3 — CID 138585058

IUPACmethyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(O)cc1C(C)(F)F
InChIInChI=1S/C9H9F2NO3/c1-9(10,11)6-3-5(13)4-12-7(6)8(14)15-2/h3-4,13H,1-2H3
InChIKeyYEAVXFIGSACMNU-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.69
Rot. Bonds2

About methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate

methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate (PubChem CID 138585058) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate
PubChem CID138585058
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Namemethyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(O)cc1C(C)(F)F
InChIInChI=1S/C9H9F2NO3/c1-9(10,11)6-3-5(13)4-12-7(6)8(14)15-2/h3-4,13H,1-2H3
InChIKeyYEAVXFIGSACMNU-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate (CID 138585058) is methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate is COC(=O)c1ncc(O)cc1C(C)(F)F.
What is the InChIKey of methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate?
The InChIKey is YEAVXFIGSACMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-9(10,11)6-3-5(13)4-12-7(6)8(14)15-2/h3-4,13H,1-2H3.
What are the key properties of methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate?
methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate has a molecular weight of 217.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 138585058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).