2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C10H11BrF2N2O3 — CID 104857114

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(F)(F)CO
InChIInChI=1S/C10H11BrF2N2O3/c11-7-1-2-9(18)15(3-7)4-8(17)14-5-10(12,13)6-16/h1-3,16H,4-6H2,(H,14,17)
InChIKeyYYZJQZXQVIYOAV-UHFFFAOYSA-N
MW325.11 g/mol
LogP0.35
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104857114) has the molecular formula C10H11BrF2N2O3 and a molecular weight of 325.11 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104857114
Molecular FormulaC10H11BrF2N2O3
Molecular Weight325.11 g/mol
Exact Mass323.99
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(F)(F)CO
InChIInChI=1S/C10H11BrF2N2O3/c11-7-1-2-9(18)15(3-7)4-8(17)14-5-10(12,13)6-16/h1-3,16H,4-6H2,(H,14,17)
InChIKeyYYZJQZXQVIYOAV-UHFFFAOYSA-N
XLogP0.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 37343395
N-(3-hydroxypropyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 78854231
2-(5-bromo-2-oxo-1-pyridinyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86979315
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723268
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103770135
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103857275
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106164393
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 106167999
1-[2-[(2,2-Difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one
CID 106175892
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482952
N-(3-hydroxypropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110886222
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114761215

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104857114) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(Cn1cc(Br)ccc1=O)NCC(F)(F)CO.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is YYZJQZXQVIYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O3/c11-7-1-2-9(18)15(3-7)4-8(17)14-5-10(12,13)6-16/h1-3,16H,4-6H2,(H,14,17).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 325.11 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104857114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).