1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one

C8H10BrN3O4 — CID 61229264

IUPAC1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one
SMILESNCC(O)Cn1cc(Br)cc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H10BrN3O4/c9-5-1-7(12(15)16)8(14)11(3-5)4-6(13)2-10/h1,3,6,13H,2,4,10H2
InChIKeyUETOGYRUBJULBA-UHFFFAOYSA-N
MW292.09 g/mol
LogP-0.16
Rot. Bonds4

About 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one

1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one (PubChem CID 61229264) has the molecular formula C8H10BrN3O4 and a molecular weight of 292.09 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one
PubChem CID61229264
Molecular FormulaC8H10BrN3O4
Molecular Weight292.09 g/mol
Exact Mass290.99
IUPAC Name1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one
SMILESNCC(O)Cn1cc(Br)cc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H10BrN3O4/c9-5-1-7(12(15)16)8(14)11(3-5)4-6(13)2-10/h1,3,6,13H,2,4,10H2
InChIKeyUETOGYRUBJULBA-UHFFFAOYSA-N
XLogP-0.16
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one (CID 61229264) is 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one is NCC(O)Cn1cc(Br)cc([N+](=O)[O-])c1=O.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one?
The InChIKey is UETOGYRUBJULBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O4/c9-5-1-7(12(15)16)8(14)11(3-5)4-6(13)2-10/h1,3,6,13H,2,4,10H2.
What are the key properties of 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one?
1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one has a molecular weight of 292.09 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)-5-bromo-3-nitropyridin-2-one is sourced from PubChem (CID 61229264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).