methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate

C14H13NO3 — CID 166089309

IUPACmethyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H13NO3/c1-18-14(17)7-10-5-6-13(15-9-10)11-3-2-4-12(16)8-11/h2-6,8-9,16H,7H2,1H3
InChIKeySFXTUYCLXHVCOZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.17
Rot. Bonds3

About methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate

methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate (PubChem CID 166089309) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
PubChem CID166089309
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H13NO3/c1-18-14(17)7-10-5-6-13(15-9-10)11-3-2-4-12(16)8-11/h2-6,8-9,16H,7H2,1H3
InChIKeySFXTUYCLXHVCOZ-UHFFFAOYSA-N
XLogP2.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-chloro-2-(3-hydroxyphenyl)pyrimidin-5-yl]acetate
CID 117225365
methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate
CID 86637794
methyl 2-[3-(6-ethylisoquinolin-3-yl)phenyl]acetate
CID 126629873
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
CID 176648871
4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
CID 142770731
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
CID 59772249
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
5-[2-[[2-(3-hydroxyphenyl)pyrimidin-5-yl]amino]-2-oxoethyl]pyridine-2-carboxamide
CID 146095823
2-[6-(3-methylphenyl)-3-pyridinyl]ethanol
CID 117001661

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate (CID 166089309) is methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate is COC(=O)Cc1ccc(-c2cccc(O)c2)nc1.
What is the InChIKey of methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate?
The InChIKey is SFXTUYCLXHVCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)7-10-5-6-13(15-9-10)11-3-2-4-12(16)8-11/h2-6,8-9,16H,7H2,1H3.
What are the key properties of methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate?
methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate has a molecular weight of 243.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate is sourced from PubChem (CID 166089309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).