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

C10H11BrF2N2O3 — CID 103770135

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

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

2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103770135) 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-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103770135
Molecular FormulaC10H11BrF2N2O3
Molecular Weight325.11 g/mol
Exact Mass323.99
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(O)C(F)F
InChIInChI=1S/C10H11BrF2N2O3/c11-6-1-2-9(18)15(4-6)5-8(17)14-3-7(16)10(12)13/h1-2,4,7,10,16H,3,5H2,(H,14,17)
InChIKeyKCRBSDVCFUXEMZ-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103770135) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(Cn1cc(Br)ccc1=O)NCC(O)C(F)F.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is KCRBSDVCFUXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O3/c11-6-1-2-9(18)15(4-6)5-8(17)14-3-7(16)10(12)13/h1-2,4,7,10,16H,3,5H2,(H,14,17).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103770135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).