3-amino-6-bromo-3H-pyridin-2-one

C5H5BrN2O — CID 72744169

IUPAC3-amino-6-bromo-3H-pyridin-2-one
SMILESNC1C=CC(Br)=NC1=O
InChIInChI=1S/C5H5BrN2O/c6-4-2-1-3(7)5(9)8-4/h1-3H,7H2
InChIKeyCNVBEGMENSQXFE-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.20
Rot. Bonds

About 3-amino-6-bromo-3H-pyridin-2-one

3-amino-6-bromo-3H-pyridin-2-one (PubChem CID 72744169) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 3-amino-6-bromo-3H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-bromo-3H-pyridin-2-one
PubChem CID72744169
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name3-amino-6-bromo-3H-pyridin-2-one
SMILESNC1C=CC(Br)=NC1=O
InChIInChI=1S/C5H5BrN2O/c6-4-2-1-3(7)5(9)8-4/h1-3H,7H2
InChIKeyCNVBEGMENSQXFE-UHFFFAOYSA-N
XLogP0.20
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-3H-pyridin-2-one?
The IUPAC name of 3-amino-6-bromo-3H-pyridin-2-one (CID 72744169) is 3-amino-6-bromo-3H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-bromo-3H-pyridin-2-one?
The canonical SMILES for 3-amino-6-bromo-3H-pyridin-2-one is NC1C=CC(Br)=NC1=O.
What is the InChIKey of 3-amino-6-bromo-3H-pyridin-2-one?
The InChIKey is CNVBEGMENSQXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c6-4-2-1-3(7)5(9)8-4/h1-3H,7H2.
What are the key properties of 3-amino-6-bromo-3H-pyridin-2-one?
3-amino-6-bromo-3H-pyridin-2-one has a molecular weight of 189.01 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-3H-pyridin-2-one is sourced from PubChem (CID 72744169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).