methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate

C13H8F3NO3 — CID 59226549

IUPACmethyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)ccc(O)c2F)n1
InChIInChI=1S/C13H8F3NO3/c1-20-13(19)8-4-2-7(15)12(17-8)10-6(14)3-5-9(18)11(10)16/h2-5,18H,1H3
InChIKeyFDAIFJAKWMRIBP-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.66
Rot. Bonds2

About methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate

methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 59226549) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate
PubChem CID59226549
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Namemethyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)ccc(O)c2F)n1
InChIInChI=1S/C13H8F3NO3/c1-20-13(19)8-4-2-7(15)12(17-8)10-6(14)3-5-9(18)11(10)16/h2-5,18H,1H3
InChIKeyFDAIFJAKWMRIBP-UHFFFAOYSA-N
XLogP2.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate (CID 59226549) is methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)ccc(O)c2F)n1.
What is the InChIKey of methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is FDAIFJAKWMRIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c1-20-13(19)8-4-2-7(15)12(17-8)10-6(14)3-5-9(18)11(10)16/h2-5,18H,1H3.
What are the key properties of methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate?
methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 283.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 59226549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).