3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide

C8H9BrN2O4 — CID 171869274

IUPAC3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H9BrN2O4/c9-3-1-4(8(15)11-2-3)5(12)6(13)7(10)14/h1-2,5-6,12-13H,(H2,10,14)(H,11,15)
InChIKeySHKGZCGTKFMJSM-UHFFFAOYSA-N
MW277.07 g/mol
LogP-0.98
Rot. Bonds3

About 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide

3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide (PubChem CID 171869274) has the molecular formula C8H9BrN2O4 and a molecular weight of 277.07 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
PubChem CID171869274
Molecular FormulaC8H9BrN2O4
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H9BrN2O4/c9-3-1-4(8(15)11-2-3)5(12)6(13)7(10)14/h1-2,5-6,12-13H,(H2,10,14)(H,11,15)
InChIKeySHKGZCGTKFMJSM-UHFFFAOYSA-N
XLogP-0.98
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

S-[4-(5-bromo-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171876995
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
CID 171868161
3-aminosulfanyl-5-bromo-1H-pyridin-2-one
CID 139377338
tert-butyl N-[3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170833226
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
(2R)-2-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide
CID 119862463
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869396
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171869280
propan-2-yl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 133056794
3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
CID 171869996

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide (CID 171869274) is 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
The InChIKey is SHKGZCGTKFMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O4/c9-3-1-4(8(15)11-2-3)5(12)6(13)7(10)14/h1-2,5-6,12-13H,(H2,10,14)(H,11,15).
What are the key properties of 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide?
3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide has a molecular weight of 277.07 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).