3-amino-5-bromo-1-methylpyridin-4-one

C6H7BrN2O — CID 71758421

IUPAC3-amino-5-bromo-1-methylpyridin-4-one
SMILESCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C6H7BrN2O/c1-9-2-4(7)6(10)5(8)3-9/h2-3H,8H2,1H3
InChIKeyXFHXHXLSNVIMEE-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.73
Rot. Bonds

About 3-amino-5-bromo-1-methylpyridin-4-one

3-amino-5-bromo-1-methylpyridin-4-one (PubChem CID 71758421) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 3-amino-5-bromo-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-methylpyridin-4-one
PubChem CID71758421
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name3-amino-5-bromo-1-methylpyridin-4-one
SMILESCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C6H7BrN2O/c1-9-2-4(7)6(10)5(8)3-9/h2-3H,8H2,1H3
InChIKeyXFHXHXLSNVIMEE-UHFFFAOYSA-N
XLogP0.73
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-methylpyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-methylpyridin-4-one (CID 71758421) is 3-amino-5-bromo-1-methylpyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-methylpyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-methylpyridin-4-one is Cn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-methylpyridin-4-one?
The InChIKey is XFHXHXLSNVIMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-9-2-4(7)6(10)5(8)3-9/h2-3H,8H2,1H3.
What are the key properties of 3-amino-5-bromo-1-methylpyridin-4-one?
3-amino-5-bromo-1-methylpyridin-4-one has a molecular weight of 203.04 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-methylpyridin-4-one is sourced from PubChem (CID 71758421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).