methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate

C14H13NO3 — CID 170692112

IUPACmethyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C14H13NO3/c1-18-14(17)8-12-5-2-11(9-15-12)10-3-6-13(16)7-4-10/h2-7,9,16H,8H2,1H3
InChIKeyDQWOFDDDYDMOOH-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.17
Rot. Bonds3

About methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate

methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate (PubChem CID 170692112) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate
PubChem CID170692112
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C14H13NO3/c1-18-14(17)8-12-5-2-11(9-15-12)10-3-6-13(16)7-4-10/h2-7,9,16H,8H2,1H3
InChIKeyDQWOFDDDYDMOOH-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

Analyze methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate (CID 170692112) is methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate is COC(=O)Cc1ccc(-c2ccc(O)cc2)cn1.
What is the InChIKey of methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate?
The InChIKey is DQWOFDDDYDMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)8-12-5-2-11(9-15-12)10-3-6-13(16)7-4-10/h2-7,9,16H,8H2,1H3.
What are the key properties of methyl 2-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate?
methyl 2-[5-(4-hydroxyphenyl)-2-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-[5-(4-hydroxyphenyl)-2-pyridinyl]acetate is sourced from PubChem (CID 170692112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).