3-amino-5-bromo-1H-pyridin-2-one

C5H5BrN2O — CID 13434515

IUPAC3-amino-5-bromo-1H-pyridin-2-one
SMILESNc1cc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKeyULOVLVWNSQNABA-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.72
Rot. Bonds

About 3-amino-5-bromo-1H-pyridin-2-one

3-amino-5-bromo-1H-pyridin-2-one (PubChem CID 13434515) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 3-amino-5-bromo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-1H-pyridin-2-one
PubChem CID13434515
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name3-amino-5-bromo-1H-pyridin-2-one
SMILESNc1cc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKeyULOVLVWNSQNABA-UHFFFAOYSA-N
XLogP0.72
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 322353
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CID 52911268
5-Bromo-3-nitro-2-pyridone
CID 85147
3-Amino-5-chloro-2-hydroxypyridine
CID 21560644
3-Aminopyridin-2-ol hydrochloride
CID 47002579
3-Amino-5-fluoropyridin-2-ol
CID 53217434
N-(5-Bromo-1,2-dihydro-2-oxo-3-pyridinyl)acetamide
CID 22123056
3-Amino-5-bromo-1-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 165985568
3-(difluoroamino)-1H-pyridin-2-one
CID 88704996
5-fluoro-3-(methylamino)-1H-pyridin-2-one
CID 142311315
3-azido-1H-pyridin-2-one
CID 133667698

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-bromo-1H-pyridin-2-one (CID 13434515) is 3-amino-5-bromo-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-bromo-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-bromo-1H-pyridin-2-one is Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of 3-amino-5-bromo-1H-pyridin-2-one?
The InChIKey is ULOVLVWNSQNABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9).
What are the key properties of 3-amino-5-bromo-1H-pyridin-2-one?
3-amino-5-bromo-1H-pyridin-2-one has a molecular weight of 189.01 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1H-pyridin-2-one is sourced from PubChem (CID 13434515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).