ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate

C17H17NO4 — CID 44581825

IUPACethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1cc(O)ccc1C2
InChIInChI=1S/C17H17NO4/c1-3-22-17(20)16-14(9-21-2)15-11(8-18-16)6-10-4-5-12(19)7-13(10)15/h4-5,7-8,19H,3,6,9H2,1-2H3
InChIKeyZGQGVCCBHYQURS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.68
Rot. Bonds4

About ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate

ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 44581825) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID44581825
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(c1COC)-c1cc(O)ccc1C2
InChIInChI=1S/C17H17NO4/c1-3-22-17(20)16-14(9-21-2)15-11(8-18-16)6-10-4-5-12(19)7-13(10)15/h4-5,7-8,19H,3,6,9H2,1-2H3
InChIKeyZGQGVCCBHYQURS-UHFFFAOYSA-N
XLogP2.68
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate (CID 44581825) is ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1ncc2c(c1COC)-c1cc(O)ccc1C2.
What is the InChIKey of ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is ZGQGVCCBHYQURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-22-17(20)16-14(9-21-2)15-11(8-18-16)6-10-4-5-12(19)7-13(10)15/h4-5,7-8,19H,3,6,9H2,1-2H3.
What are the key properties of ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-4-(methoxymethyl)-9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 44581825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).