5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid

C7H6BrNO3 — CID 67338255

IUPAC5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)cc(Br)c1=O
InChIInChI=1S/C7H6BrNO3/c1-9-3-4(7(11)12)2-5(8)6(9)10/h2-3H,1H3,(H,11,12)
InChIKeyDQEIEGYVIZNDMC-UHFFFAOYSA-N
MW232.03 g/mol
LogP0.85
Rot. Bonds1

About 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid

5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid (PubChem CID 67338255) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid
PubChem CID67338255
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Name5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)cc(Br)c1=O
InChIInChI=1S/C7H6BrNO3/c1-9-3-4(7(11)12)2-5(8)6(9)10/h2-3H,1H3,(H,11,12)
InChIKeyDQEIEGYVIZNDMC-UHFFFAOYSA-N
XLogP0.85
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid (CID 67338255) is 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid is Cn1cc(C(=O)O)cc(Br)c1=O.
What is the InChIKey of 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is DQEIEGYVIZNDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c1-9-3-4(7(11)12)2-5(8)6(9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid?
5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 232.03 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 67338255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).