3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid

C8H8BrNO3 — CID 82146616

IUPAC3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
SMILESO=C(O)CCn1cccc(Br)c1=O
InChIInChI=1S/C8H8BrNO3/c9-6-2-1-4-10(8(6)13)5-3-7(11)12/h1-2,4H,3,5H2,(H,11,12)
InChIKeyLLAFCCDSWBSYTJ-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.09
Rot. Bonds3

About 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid

3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 82146616) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
PubChem CID82146616
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
SMILESO=C(O)CCn1cccc(Br)c1=O
InChIInChI=1S/C8H8BrNO3/c9-6-2-1-4-10(8(6)13)5-3-7(11)12/h1-2,4H,3,5H2,(H,11,12)
InChIKeyLLAFCCDSWBSYTJ-UHFFFAOYSA-N
XLogP1.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
CID 114760572
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
CID 114761608
3-bromo-1-dodecylpyridin-2-one
CID 114761270
5-(3-hydroxy-2-oxo-1-pyridinyl)pentanoic acid
CID 10443125
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
3-bromo-1-pent-3-ynylpyridin-2-one
CID 114761264
N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760129
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
CID 114760151
N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760027
3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
CID 114760663
3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one
CID 106439742

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid (CID 82146616) is 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid is O=C(O)CCn1cccc(Br)c1=O.
What is the InChIKey of 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is LLAFCCDSWBSYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c9-6-2-1-4-10(8(6)13)5-3-7(11)12/h1-2,4H,3,5H2,(H,11,12).
What are the key properties of 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid?
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 246.06 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 82146616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).