2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid

C16H15NO3 — CID 82305504

IUPAC2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)CCCC3)[nH]c(=O)c1
InChIInChI=1S/C16H15NO3/c18-15-9-13(16(19)20)8-14(17-15)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyWCCYWMRKHOVCAR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds2

About 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid

2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid (PubChem CID 82305504) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid
PubChem CID82305504
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)CCCC3)[nH]c(=O)c1
InChIInChI=1S/C16H15NO3/c18-15-9-13(16(19)20)8-14(17-15)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyWCCYWMRKHOVCAR-UHFFFAOYSA-N
XLogP2.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid (CID 82305504) is 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc3c(c2)CCCC3)[nH]c(=O)c1.
What is the InChIKey of 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid?
The InChIKey is WCCYWMRKHOVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15-9-13(16(19)20)8-14(17-15)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid?
2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82305504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).