3-amino-5-bromo-1H-pyridin-4-one;hydrochloride

C5H6BrClN2O — CID 70700928

IUPAC3-amino-5-bromo-1H-pyridin-4-one;hydrochloride
SMILESCl.Nc1c[nH]cc(Br)c1=O
InChIInChI=1S/C5H5BrN2O.ClH/c6-3-1-8-2-4(7)5(3)9;/h1-2H,7H2,(H,8,9);1H
InChIKeyVXUFJJTVBPKNGF-UHFFFAOYSA-N
MW225.47 g/mol
LogP1.14
Rot. Bonds

About 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride

3-amino-5-bromo-1H-pyridin-4-one;hydrochloride (PubChem CID 70700928) has the molecular formula C5H6BrClN2O and a molecular weight of 225.47 g/mol. Its IUPAC name is 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-bromo-1H-pyridin-4-one;hydrochloride
PubChem CID70700928
Molecular FormulaC5H6BrClN2O
Molecular Weight225.47 g/mol
Exact Mass223.94
IUPAC Name3-amino-5-bromo-1H-pyridin-4-one;hydrochloride
SMILESCl.Nc1c[nH]cc(Br)c1=O
InChIInChI=1S/C5H5BrN2O.ClH/c6-3-1-8-2-4(7)5(3)9;/h1-2H,7H2,(H,8,9);1H
InChIKeyVXUFJJTVBPKNGF-UHFFFAOYSA-N
XLogP1.14
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride (CID 70700928) is 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride is Cl.Nc1c[nH]cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride?
The InChIKey is VXUFJJTVBPKNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O.ClH/c6-3-1-8-2-4(7)5(3)9;/h1-2H,7H2,(H,8,9);1H.
What are the key properties of 3-amino-5-bromo-1H-pyridin-4-one;hydrochloride?
3-amino-5-bromo-1H-pyridin-4-one;hydrochloride has a molecular weight of 225.47 g/mol, XLogP of 1.14, 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-4-one;hydrochloride is sourced from PubChem (CID 70700928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).