ethane;6-oxo-1H-pyridine-3-carboxylic acid

C8H11NO3 — CID 142107087

IUPACethane;6-oxo-1H-pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C6H5NO3.C2H6/c8-5-2-1-4(3-7-5)6(9)10;1-2/h1-3H,(H,7,8)(H,9,10);1-2H3
InChIKeyZIZPLDUEEYGICM-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.10
Rot. Bonds1

About ethane;6-oxo-1H-pyridine-3-carboxylic acid

ethane;6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 142107087) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethane;6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID142107087
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethane;6-oxo-1H-pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C6H5NO3.C2H6/c8-5-2-1-4(3-7-5)6(9)10;1-2/h1-3H,(H,7,8)(H,9,10);1-2H3
InChIKeyZIZPLDUEEYGICM-UHFFFAOYSA-N
XLogP1.10
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of ethane;6-oxo-1H-pyridine-3-carboxylic acid (CID 142107087) is ethane;6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for ethane;6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for ethane;6-oxo-1H-pyridine-3-carboxylic acid is CC.O=C(O)c1ccc(=O)[nH]c1.
What is the InChIKey of ethane;6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZIZPLDUEEYGICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C2H6/c8-5-2-1-4(3-7-5)6(9)10;1-2/h1-3H,(H,7,8)(H,9,10);1-2H3.
What are the key properties of ethane;6-oxo-1H-pyridine-3-carboxylic acid?
ethane;6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 142107087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).