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

C10H13NO3 — CID 84720421

IUPAC1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)c1ccc(=O)n(C)c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(2)7-4-5-8(12)11(3)9(7)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyAPYJQNWYBGPBBJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.21
Rot. Bonds2

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

1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid (PubChem CID 84720421) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
PubChem CID84720421
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)c1ccc(=O)n(C)c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(2)7-4-5-8(12)11(3)9(7)10(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyAPYJQNWYBGPBBJ-UHFFFAOYSA-N
XLogP1.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid (CID 84720421) is 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid is CC(C)c1ccc(=O)n(C)c1C(=O)O.
What is the InChIKey of 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
The InChIKey is APYJQNWYBGPBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(2)7-4-5-8(12)11(3)9(7)10(13)14/h4-6H,1-3H3,(H,13,14).
What are the key properties of 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid?
1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 84720421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).