3,4-diamino-5-bromo-1-methylpyridin-2-one

C6H8BrN3O — CID 134512520

IUPAC3,4-diamino-5-bromo-1-methylpyridin-2-one
SMILESCn1cc(Br)c(N)c(N)c1=O
InChIInChI=1S/C6H8BrN3O/c1-10-2-3(7)4(8)5(9)6(10)11/h2H,8-9H2,1H3
InChIKeyNAZXHMKTWJJVOK-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.31
Rot. Bonds

About 3,4-diamino-5-bromo-1-methylpyridin-2-one

3,4-diamino-5-bromo-1-methylpyridin-2-one (PubChem CID 134512520) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 3,4-diamino-5-bromo-1-methylpyridin-2-one.

Molecular Properties

Compound Name3,4-diamino-5-bromo-1-methylpyridin-2-one
PubChem CID134512520
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name3,4-diamino-5-bromo-1-methylpyridin-2-one
SMILESCn1cc(Br)c(N)c(N)c1=O
InChIInChI=1S/C6H8BrN3O/c1-10-2-3(7)4(8)5(9)6(10)11/h2H,8-9H2,1H3
InChIKeyNAZXHMKTWJJVOK-UHFFFAOYSA-N
XLogP0.31
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-5-bromo-1-methylpyridin-2-one?
The IUPAC name of 3,4-diamino-5-bromo-1-methylpyridin-2-one (CID 134512520) is 3,4-diamino-5-bromo-1-methylpyridin-2-one.
What is the SMILES notation for 3,4-diamino-5-bromo-1-methylpyridin-2-one?
The canonical SMILES for 3,4-diamino-5-bromo-1-methylpyridin-2-one is Cn1cc(Br)c(N)c(N)c1=O.
What is the InChIKey of 3,4-diamino-5-bromo-1-methylpyridin-2-one?
The InChIKey is NAZXHMKTWJJVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-10-2-3(7)4(8)5(9)6(10)11/h2H,8-9H2,1H3.
What are the key properties of 3,4-diamino-5-bromo-1-methylpyridin-2-one?
3,4-diamino-5-bromo-1-methylpyridin-2-one has a molecular weight of 218.05 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-5-bromo-1-methylpyridin-2-one is sourced from PubChem (CID 134512520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).