3-bromo-5-morpholin-4-yl-1H-pyridin-2-one

C9H11BrN2O2 — CID 90408143

IUPAC3-bromo-5-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(N2CCOCC2)cc1Br
InChIInChI=1S/C9H11BrN2O2/c10-8-5-7(6-11-9(8)13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13)
InChIKeyJCKLCXZYAVBAFX-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.97
Rot. Bonds1

About 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one

3-bromo-5-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 90408143) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-morpholin-4-yl-1H-pyridin-2-one
PubChem CID90408143
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-bromo-5-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(N2CCOCC2)cc1Br
InChIInChI=1S/C9H11BrN2O2/c10-8-5-7(6-11-9(8)13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13)
InChIKeyJCKLCXZYAVBAFX-UHFFFAOYSA-N
XLogP0.97
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one (CID 90408143) is 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one is O=c1[nH]cc(N2CCOCC2)cc1Br.
What is the InChIKey of 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is JCKLCXZYAVBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-8-5-7(6-11-9(8)13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13).
What are the key properties of 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one?
3-bromo-5-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 259.10 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 90408143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).