2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid

C8H8BrNO3 — CID 82146602

IUPAC2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1c(Br)ccc(=O)n1CC(=O)O
InChIInChI=1S/C8H8BrNO3/c1-5-6(9)2-3-7(11)10(5)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyUEKHKJKUQWOASO-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.00
Rot. Bonds2

About 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid

2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid (PubChem CID 82146602) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid
PubChem CID82146602
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1c(Br)ccc(=O)n1CC(=O)O
InChIInChI=1S/C8H8BrNO3/c1-5-6(9)2-3-7(11)10(5)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyUEKHKJKUQWOASO-UHFFFAOYSA-N
XLogP1.00
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid (CID 82146602) is 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid is Cc1c(Br)ccc(=O)n1CC(=O)O.
What is the InChIKey of 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid?
The InChIKey is UEKHKJKUQWOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-5-6(9)2-3-7(11)10(5)4-8(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid?
2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid has a molecular weight of 246.06 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 82146602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).