2-(4-bromo-2-oxo-1-pyridinyl)acetic acid

C7H6BrNO3 — CID 118877896

IUPAC2-(4-bromo-2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1ccc(Br)cc1=O
InChIInChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12)
InChIKeyINCAMIFWGMKSNK-UHFFFAOYSA-N
MW232.03 g/mol
LogP0.70
Rot. Bonds2

About 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid

2-(4-bromo-2-oxo-1-pyridinyl)acetic acid (PubChem CID 118877896) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-oxo-1-pyridinyl)acetic acid
PubChem CID118877896
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Name2-(4-bromo-2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1ccc(Br)cc1=O
InChIInChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12)
InChIKeyINCAMIFWGMKSNK-UHFFFAOYSA-N
XLogP0.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 565316
Methyl 2-(4-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 117627842
2-(5-Bromo-3-iodo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 155973279
2-(5-Fluoro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 82146597
(2R)-2-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 49855731
2-(5-Bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
CID 81296547
2-Fluoro-2-(2-oxo-1-pyridinyl)acetic acid
CID 81298694
2-(3,5-Dibromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
CID 104451392
2-(3-Bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
CID 114760214
2-(5-Bromo-3-fluoro-2-oxo-1-pyridinyl)acetic acid
CID 167824272
2-(3-Fluoro-2-oxo-1-pyridinyl)acetic acid
CID 167860992
2-(5-Bromo-2-oxopyridin-1(2H)-yl)acetic acid
CID 16778801

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid (CID 118877896) is 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid is O=C(O)Cn1ccc(Br)cc1=O.
What is the InChIKey of 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is INCAMIFWGMKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid?
2-(4-bromo-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 232.03 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 118877896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).