methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate

C13H11NO3 — CID 117222190

IUPACmethyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccccc2O)c1
InChIInChI=1S/C13H11NO3/c1-17-13(16)10-6-9(7-14-8-10)11-4-2-3-5-12(11)15/h2-8,15H,1H3
InChIKeyMGKASQUOTDXSIT-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.24
Rot. Bonds2

About methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate

methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate (PubChem CID 117222190) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
PubChem CID117222190
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namemethyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccccc2O)c1
InChIInChI=1S/C13H11NO3/c1-17-13(16)10-6-9(7-14-8-10)11-4-2-3-5-12(11)15/h2-8,15H,1H3
InChIKeyMGKASQUOTDXSIT-UHFFFAOYSA-N
XLogP2.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
CID 71304429
methyl 5-diphenylphosphorylpyridine-3-carboxylate
CID 177256610
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
CID 46032150
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
methyl 5-ethylpyridine-3-carboxylate
CID 5323747

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate (CID 117222190) is methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccccc2O)c1.
What is the InChIKey of methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate?
The InChIKey is MGKASQUOTDXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)10-6-9(7-14-8-10)11-4-2-3-5-12(11)15/h2-8,15H,1H3.
What are the key properties of methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate?
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 117222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).