(4-pyridin-2-ylphenyl) 2-hydroxypropanoate

C14H13NO3 — CID 117051698

IUPAC(4-pyridin-2-ylphenyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H13NO3/c1-10(16)14(17)18-12-7-5-11(6-8-12)13-4-2-3-9-15-13/h2-10,16H,1H3
InChIKeyMVODTDWULXYOTP-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.03
Rot. Bonds3

About (4-pyridin-2-ylphenyl) 2-hydroxypropanoate

(4-pyridin-2-ylphenyl) 2-hydroxypropanoate (PubChem CID 117051698) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (4-pyridin-2-ylphenyl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(4-pyridin-2-ylphenyl) 2-hydroxypropanoate
PubChem CID117051698
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(4-pyridin-2-ylphenyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H13NO3/c1-10(16)14(17)18-12-7-5-11(6-8-12)13-4-2-3-9-15-13/h2-10,16H,1H3
InChIKeyMVODTDWULXYOTP-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylphenyl) 2-hydroxypropanoate?
The IUPAC name of (4-pyridin-2-ylphenyl) 2-hydroxypropanoate (CID 117051698) is (4-pyridin-2-ylphenyl) 2-hydroxypropanoate.
What is the SMILES notation for (4-pyridin-2-ylphenyl) 2-hydroxypropanoate?
The canonical SMILES for (4-pyridin-2-ylphenyl) 2-hydroxypropanoate is CC(O)C(=O)Oc1ccc(-c2ccccn2)cc1.
What is the InChIKey of (4-pyridin-2-ylphenyl) 2-hydroxypropanoate?
The InChIKey is MVODTDWULXYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(16)14(17)18-12-7-5-11(6-8-12)13-4-2-3-9-15-13/h2-10,16H,1H3.
What are the key properties of (4-pyridin-2-ylphenyl) 2-hydroxypropanoate?
(4-pyridin-2-ylphenyl) 2-hydroxypropanoate has a molecular weight of 243.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylphenyl) 2-hydroxypropanoate is sourced from PubChem (CID 117051698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).