3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one

C10H15BrN2O2 — CID 103961951

IUPAC3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one
SMILESCCOCCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-2-15-5-3-4-13-6-8(11)10(14)9(12)7-13/h6-7H,2-5,12H2,1H3
InChIKeyKSNCOXAVDWBBJY-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one

3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one (PubChem CID 103961951) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one
PubChem CID103961951
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one
SMILESCCOCCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-2-15-5-3-4-13-6-8(11)10(14)9(12)7-13/h6-7H,2-5,12H2,1H3
InChIKeyKSNCOXAVDWBBJY-UHFFFAOYSA-N
XLogP1.62
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one (CID 103961951) is 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one is CCOCCCn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one?
The InChIKey is KSNCOXAVDWBBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-2-15-5-3-4-13-6-8(11)10(14)9(12)7-13/h6-7H,2-5,12H2,1H3.
What are the key properties of 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one?
3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one has a molecular weight of 275.15 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(3-ethoxypropyl)pyridin-4-one is sourced from PubChem (CID 103961951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).