5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid

C11H14BrNO3 — CID 67254490

IUPAC5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1c(C)c(C(=O)O)c(C)c(Br)c1=O
InChIInChI=1S/C11H14BrNO3/c1-4-5-13-7(3)8(11(15)16)6(2)9(12)10(13)14/h4-5H2,1-3H3,(H,15,16)
InChIKeyHJSNVHVNFYNVIZ-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.34
Rot. Bonds3

About 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid

5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid (PubChem CID 67254490) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid
PubChem CID67254490
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1c(C)c(C(=O)O)c(C)c(Br)c1=O
InChIInChI=1S/C11H14BrNO3/c1-4-5-13-7(3)8(11(15)16)6(2)9(12)10(13)14/h4-5H2,1-3H3,(H,15,16)
InChIKeyHJSNVHVNFYNVIZ-UHFFFAOYSA-N
XLogP2.34
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid (CID 67254490) is 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid is CCCn1c(C)c(C(=O)O)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid?
The InChIKey is HJSNVHVNFYNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-4-5-13-7(3)8(11(15)16)6(2)9(12)10(13)14/h4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid?
5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid has a molecular weight of 288.14 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 67254490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).