6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid

C17H17NO4 — CID 82100029

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c(c2)CCC3)n(CCO)c1=O
InChIInChI=1S/C17H17NO4/c19-9-8-18-15(7-6-14(16(18)20)17(21)22)13-5-4-11-2-1-3-12(11)10-13/h4-7,10,19H,1-3,8-9H2,(H,21,22)
InChIKeyCEZUJDFGEGQEKW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.69
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid

6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82100029) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82100029
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c(c2)CCC3)n(CCO)c1=O
InChIInChI=1S/C17H17NO4/c19-9-8-18-15(7-6-14(16(18)20)17(21)22)13-5-4-11-2-1-3-12(11)10-13/h4-7,10,19H,1-3,8-9H2,(H,21,22)
InChIKeyCEZUJDFGEGQEKW-UHFFFAOYSA-N
XLogP1.69
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid (CID 82100029) is 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc3c(c2)CCC3)n(CCO)c1=O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is CEZUJDFGEGQEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-9-8-18-15(7-6-14(16(18)20)17(21)22)13-5-4-11-2-1-3-12(11)10-13/h4-7,10,19H,1-3,8-9H2,(H,21,22).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82100029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).