ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate

C17H17NO3 — CID 648603

IUPACethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate
SMILESCCOC(=O)C(C)C1(O)c2ccccc2-c2ncccc21
InChIInChI=1S/C17H17NO3/c1-3-21-16(19)11(2)17(20)13-8-5-4-7-12(13)15-14(17)9-6-10-18-15/h4-11,20H,3H2,1-2H3
InChIKeySKOZISBWYGFPBI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds3

About ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate

ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate (PubChem CID 648603) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate
PubChem CID648603
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate
SMILESCCOC(=O)C(C)C1(O)c2ccccc2-c2ncccc21
InChIInChI=1S/C17H17NO3/c1-3-21-16(19)11(2)17(20)13-8-5-4-7-12(13)15-14(17)9-6-10-18-15/h4-11,20H,3H2,1-2H3
InChIKeySKOZISBWYGFPBI-UHFFFAOYSA-N
XLogP2.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate?
The IUPAC name of ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate (CID 648603) is ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate?
The canonical SMILES for ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate is CCOC(=O)C(C)C1(O)c2ccccc2-c2ncccc21.
What is the InChIKey of ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate?
The InChIKey is SKOZISBWYGFPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-16(19)11(2)17(20)13-8-5-4-7-12(13)15-14(17)9-6-10-18-15/h4-11,20H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate?
ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate has a molecular weight of 283.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxyindeno[1,2-b]pyridin-5-yl)propanoate is sourced from PubChem (CID 648603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).