5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid

C8H8BrNO3 — CID 86775638

IUPAC5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1c(Br)cc(C(=O)O)c(=O)n1C
InChIInChI=1S/C8H8BrNO3/c1-4-6(9)3-5(8(12)13)7(11)10(4)2/h3H,1-2H3,(H,12,13)
InChIKeyIFPREJFNUSQNLP-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.15
Rot. Bonds1

About 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid

5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 86775638) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID86775638
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1c(Br)cc(C(=O)O)c(=O)n1C
InChIInChI=1S/C8H8BrNO3/c1-4-6(9)3-5(8(12)13)7(11)10(4)2/h3H,1-2H3,(H,12,13)
InChIKeyIFPREJFNUSQNLP-UHFFFAOYSA-N
XLogP1.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 86775638) is 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1c(Br)cc(C(=O)O)c(=O)n1C.
What is the InChIKey of 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is IFPREJFNUSQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-4-6(9)3-5(8(12)13)7(11)10(4)2/h3H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid?
5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 246.06 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 86775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).