methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate

C13H9F2NO3 — CID 59226413

IUPACmethyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2c(F)ccc(O)c2F)n1
InChIInChI=1S/C13H9F2NO3/c1-19-13(18)9-4-2-3-8(16-9)11-7(14)5-6-10(17)12(11)15/h2-6,17H,1H3
InChIKeySLBOTLUDNAZFQG-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.52
Rot. Bonds2

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

methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate (PubChem CID 59226413) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate
PubChem CID59226413
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Namemethyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2c(F)ccc(O)c2F)n1
InChIInChI=1S/C13H9F2NO3/c1-19-13(18)9-4-2-3-8(16-9)11-7(14)5-6-10(17)12(11)15/h2-6,17H,1H3
InChIKeySLBOTLUDNAZFQG-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.52
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)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate (CID 59226413) is methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2c(F)ccc(O)c2F)n1.
What is the InChIKey of methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate?
The InChIKey is SLBOTLUDNAZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-19-13(18)9-4-2-3-8(16-9)11-7(14)5-6-10(17)12(11)15/h2-6,17H,1H3.
What are the key properties of methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate?
methyl 6-(2,6-difluoro-3-hydroxyphenyl)pyridine-2-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 2.52, 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)pyridine-2-carboxylate is sourced from PubChem (CID 59226413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).