3-amino-5-bromo-2-chloro-1H-pyridin-4-one

C5H4BrClN2O — CID 118249166

IUPAC3-amino-5-bromo-2-chloro-1H-pyridin-4-one
SMILESNc1c(Cl)[nH]cc(Br)c1=O
InChIInChI=1S/C5H4BrClN2O/c6-2-1-9-5(7)3(8)4(2)10/h1H,8H2,(H,9,10)
InChIKeyGFXLBCPTAAUWSE-UHFFFAOYSA-N
MW223.46 g/mol
LogP1.37
Rot. Bonds

About 3-amino-5-bromo-2-chloro-1H-pyridin-4-one

3-amino-5-bromo-2-chloro-1H-pyridin-4-one (PubChem CID 118249166) has the molecular formula C5H4BrClN2O and a molecular weight of 223.46 g/mol. Its IUPAC name is 3-amino-5-bromo-2-chloro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-2-chloro-1H-pyridin-4-one
PubChem CID118249166
Molecular FormulaC5H4BrClN2O
Molecular Weight223.46 g/mol
Exact Mass221.92
IUPAC Name3-amino-5-bromo-2-chloro-1H-pyridin-4-one
SMILESNc1c(Cl)[nH]cc(Br)c1=O
InChIInChI=1S/C5H4BrClN2O/c6-2-1-9-5(7)3(8)4(2)10/h1H,8H2,(H,9,10)
InChIKeyGFXLBCPTAAUWSE-UHFFFAOYSA-N
XLogP1.37
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-chloro-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-2-chloro-1H-pyridin-4-one (CID 118249166) is 3-amino-5-bromo-2-chloro-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-2-chloro-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-2-chloro-1H-pyridin-4-one is Nc1c(Cl)[nH]cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-2-chloro-1H-pyridin-4-one?
The InChIKey is GFXLBCPTAAUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O/c6-2-1-9-5(7)3(8)4(2)10/h1H,8H2,(H,9,10).
What are the key properties of 3-amino-5-bromo-2-chloro-1H-pyridin-4-one?
3-amino-5-bromo-2-chloro-1H-pyridin-4-one has a molecular weight of 223.46 g/mol, XLogP of 1.37, 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-2-chloro-1H-pyridin-4-one is sourced from PubChem (CID 118249166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).