6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid

C11H13NO3 — CID 118860112

IUPAC6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid
SMILESCC(=O)C(C)(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H13NO3/c1-7(13)11(2,3)9-6-4-5-8(12-9)10(14)15/h4-6H,1-3H3,(H,14,15)
InChIKeyDDVWJXVSXJMZEY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.65
Rot. Bonds3

About 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid

6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid (PubChem CID 118860112) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid
PubChem CID118860112
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid
SMILESCC(=O)C(C)(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H13NO3/c1-7(13)11(2,3)9-6-4-5-8(12-9)10(14)15/h4-6H,1-3H3,(H,14,15)
InChIKeyDDVWJXVSXJMZEY-UHFFFAOYSA-N
XLogP1.65
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91986542
CID 91986542
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 155437518
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400
6-[bis[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]-(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid
CID 59342930
2-[6-(1,1-dicarboxyethyl)-2-pyridinyl]-2-methylpropanedioic acid
CID 132516457
6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
CID 131581629
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240234
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
CID 146294484
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid (CID 118860112) is 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid is CC(=O)C(C)(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid?
The InChIKey is DDVWJXVSXJMZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)11(2,3)9-6-4-5-8(12-9)10(14)15/h4-6H,1-3H3,(H,14,15).
What are the key properties of 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid?
6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118860112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).