1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid

C11H15NO3 — CID 146424734

IUPAC1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(C(C)C)ccc1=O
InChIInChI=1S/C11H15NO3/c1-4-12-9(13)6-5-8(7(2)3)10(12)11(14)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyOASDTVJMFIBBLW-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.69
Rot. Bonds3

About 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid

1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid (PubChem CID 146424734) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
PubChem CID146424734
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)c(C(C)C)ccc1=O
InChIInChI=1S/C11H15NO3/c1-4-12-9(13)6-5-8(7(2)3)10(12)11(14)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyOASDTVJMFIBBLW-UHFFFAOYSA-N
XLogP1.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1096408
1-Methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84724729
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)acetic acid
CID 46785850
1,4-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 53665467
2-(3-oxo-5aH-2-benzazepin-2-yl)acetic acid
CID 57087949
2-methyl-2H-pyridine-1,6-dicarboxylic acid
CID 67315454
6-oxo-8aH-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
CID 88481307
2-(2-Oxo-5-propan-2-yl-1-pyridinyl)acetic acid
CID 89965684
2-(2-Oxo-6-propan-2-yl-1-pyridinyl)acetic acid
CID 89965745
2-(2-Oxo-4-propan-2-yl-1-pyridinyl)acetic acid
CID 89965894
2-(5-Ethyl-2-oxo-1-pyridinyl)acetic acid
CID 90227881
2-(5-Tert-butyl-2-oxo-1-pyridinyl)acetic acid
CID 117836138

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid (CID 146424734) is 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid is CCn1c(C(=O)O)c(C(C)C)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
The InChIKey is OASDTVJMFIBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-12-9(13)6-5-8(7(2)3)10(12)11(14)15/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 146424734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).