ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate

C16H17NO4 — CID 171866921

IUPACethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H17NO4/c1-2-21-16(20)15(19)14(18)12-8-6-11(7-9-12)13-5-3-4-10-17-13/h3-10,14-15,18-19H,2H2,1H3
InChIKeyPVOKWWDSGGGKSW-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate

ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate (PubChem CID 171866921) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
PubChem CID171866921
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Nameethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H17NO4/c1-2-21-16(20)15(19)14(18)12-8-6-11(7-9-12)13-5-3-4-10-17-13/h3-10,14-15,18-19H,2H2,1H3
InChIKeyPVOKWWDSGGGKSW-UHFFFAOYSA-N
XLogP1.71
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
CID 174421102
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
(4-pyridin-2-ylphenyl) 2-hydroxypropanoate
CID 117051698
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
CID 171867072
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-pyridin-2-ylphenyl)propan-2-yl]acetamide
CID 58631087
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate (CID 171866921) is ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate is CCOC(=O)C(O)C(O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate?
The InChIKey is PVOKWWDSGGGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-21-16(20)15(19)14(18)12-8-6-11(7-9-12)13-5-3-4-10-17-13/h3-10,14-15,18-19H,2H2,1H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate?
ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate has a molecular weight of 287.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate is sourced from PubChem (CID 171866921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).