methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate

C15H15NO3 — CID 46735346

IUPACmethyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
SMILESCOC(=O)c1c(O)cccc1CCc1ccccn1
InChIInChI=1S/C15H15NO3/c1-19-15(18)14-11(5-4-7-13(14)17)8-9-12-6-2-3-10-16-12/h2-7,10,17H,8-9H2,1H3
InChIKeyRRGFEKDAZRAGME-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate

methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate (PubChem CID 46735346) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
PubChem CID46735346
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
SMILESCOC(=O)c1c(O)cccc1CCc1ccccn1
InChIInChI=1S/C15H15NO3/c1-19-15(18)14-11(5-4-7-13(14)17)8-9-12-6-2-3-10-16-12/h2-7,10,17H,8-9H2,1H3
InChIKeyRRGFEKDAZRAGME-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate
CID 46735461
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
CID 45075115
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
dimethyl (E)-2-[2-(2-pyridin-2-ylethyl)anilino]but-2-enedioate
CID 168566370
3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol
CID 174442425
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)
CID 173055339
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
methyl 3-fluoro-6-methyl-2-(4-pyridin-2-ylbutanoylamino)benzoate
CID 75421382

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate?
The IUPAC name of methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate (CID 46735346) is methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate is COC(=O)c1c(O)cccc1CCc1ccccn1.
What is the InChIKey of methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate?
The InChIKey is RRGFEKDAZRAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15(18)14-11(5-4-7-13(14)17)8-9-12-6-2-3-10-16-12/h2-7,10,17H,8-9H2,1H3.
What are the key properties of methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate?
methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate is sourced from PubChem (CID 46735346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).