6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid

C7H7NO3 — CID 163342863

IUPAC6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid
SMILES[2H]C([2H])([2H])n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)/i1D3
InChIKeyRGZCKPXTNJAWMR-FIBGUPNXSA-N
MW156.16 g/mol
LogP0.08
Rot. Bonds2

About 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid

6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid (PubChem CID 163342863) has the molecular formula C7H7NO3 and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid
PubChem CID163342863
Molecular FormulaC7H7NO3
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid
SMILES[2H]C([2H])([2H])n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)/i1D3
InChIKeyRGZCKPXTNJAWMR-FIBGUPNXSA-N
XLogP0.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-oxopyridine-3-carboxylic acid;1-methylpyridin-1-ium-3-carboxylate
CID 162079726
1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid
CID 130556374
bismuthane;terephthalic acid
CID 173299583
2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119199937
1-[(E)-but-2-enyl]-6-oxopyridine-3-carboxylic acid
CID 28545450
1-(2-ethylbutyl)-6-oxopyridine-3-carboxylic acid
CID 82928739
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
silver;terephthalic acid;zinc
CID 88512761
terephthalic acid
CID 160582437
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235
1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid (CID 163342863) is 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid is [2H]C([2H])([2H])n1cc(C(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid?
The InChIKey is RGZCKPXTNJAWMR-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)/i1D3.
What are the key properties of 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid?
6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid has a molecular weight of 156.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 163342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).