5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one

C10H13BrN2O2 — CID 80501846

IUPAC5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CC2CCCO2)c1
InChIInChI=1S/C10H13BrN2O2/c11-9-4-7(12)5-13(10(9)14)6-8-2-1-3-15-8/h4-5,8H,1-3,6,12H2
InChIKeyFSUAUWICKSRBCY-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.37
Rot. Bonds2

About 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one

5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 80501846) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID80501846
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CC2CCCO2)c1
InChIInChI=1S/C10H13BrN2O2/c11-9-4-7(12)5-13(10(9)14)6-8-2-1-3-15-8/h4-5,8H,1-3,6,12H2
InChIKeyFSUAUWICKSRBCY-UHFFFAOYSA-N
XLogP1.37
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
CID 61293123
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one
CID 165479336
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile
CID 2368271
5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
4-amino-5-bromo-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carbonitrile
CID 100775429
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
5-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrazol-3-one
CID 121214210

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 80501846) is 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one is Nc1cc(Br)c(=O)n(CC2CCCO2)c1.
What is the InChIKey of 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is FSUAUWICKSRBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-4-7(12)5-13(10(9)14)6-8-2-1-3-15-8/h4-5,8H,1-3,6,12H2.
What are the key properties of 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one?
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 273.13 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 80501846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).