2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide

C11H15BrN2O4 — CID 61233437

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(CCO)CCO
InChIInChI=1S/C11H15BrN2O4/c12-9-1-2-10(17)14(7-9)8-11(18)13(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2
InChIKeyJKTQIVBPFUUHOF-UHFFFAOYSA-N
MW319.16 g/mol
LogP-0.58
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 61233437) has the molecular formula C11H15BrN2O4 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID61233437
Molecular FormulaC11H15BrN2O4
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(CCO)CCO
InChIInChI=1S/C11H15BrN2O4/c12-9-1-2-10(17)14(7-9)8-11(18)13(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2
InChIKeyJKTQIVBPFUUHOF-UHFFFAOYSA-N
XLogP-0.58
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Bromo-1-(2-hydroxyethyl)-1,2-dihydropyridin-2-one
CID 68738532
5-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
CID 43419433
5-Bromo-1-(2-hydroxyethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 71758197
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265277
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103857275
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482952
2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 60627635
3-Bromo-1-(2-hydroxyethyl)pyridin-2-one
CID 82147122
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid
CID 43245240
Methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 43406961
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 43427912
5-Bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 43427915

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide (CID 61233437) is 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide is O=C(Cn1cc(Br)ccc1=O)N(CCO)CCO.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is JKTQIVBPFUUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4/c12-9-1-2-10(17)14(7-9)8-11(18)13(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 319.16 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61233437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).