methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate

C16H15NO4 — CID 166523912

IUPACmethyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2c(c1)C(O)c1cccnc1O2
InChIInChI=1S/C16H15NO4/c1-9(16(19)20-2)10-5-6-13-12(8-10)14(18)11-4-3-7-17-15(11)21-13/h3-9,14,18H,1-2H3
InChIKeyBHDDPJZBSQFFAU-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate

methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate (PubChem CID 166523912) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
PubChem CID166523912
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2c(c1)C(O)c1cccnc1O2
InChIInChI=1S/C16H15NO4/c1-9(16(19)20-2)10-5-6-13-12(8-10)14(18)11-4-3-7-17-15(11)21-13/h3-9,14,18H,1-2H3
InChIKeyBHDDPJZBSQFFAU-UHFFFAOYSA-N
XLogP2.55
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate?
The IUPAC name of methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate (CID 166523912) is methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate.
What is the SMILES notation for methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate?
The canonical SMILES for methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate is COC(=O)C(C)c1ccc2c(c1)C(O)c1cccnc1O2.
What is the InChIKey of methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate?
The InChIKey is BHDDPJZBSQFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9(16(19)20-2)10-5-6-13-12(8-10)14(18)11-4-3-7-17-15(11)21-13/h3-9,14,18H,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate?
methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate has a molecular weight of 285.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-5H-chromeno[2,3-b]pyridin-7-yl)propanoate is sourced from PubChem (CID 166523912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).