3-amino-1-benzyl-5-bromopyridin-2-one

C12H11BrN2O — CID 90251201

IUPAC3-amino-1-benzyl-5-bromopyridin-2-one
SMILESNc1cc(Br)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H11BrN2O/c13-10-6-11(14)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,14H2
InChIKeyFFHJCBIQNGWYOM-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.24
Rot. Bonds2

About 3-amino-1-benzyl-5-bromopyridin-2-one

3-amino-1-benzyl-5-bromopyridin-2-one (PubChem CID 90251201) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-amino-1-benzyl-5-bromopyridin-2-one.

Molecular Properties

Compound Name3-amino-1-benzyl-5-bromopyridin-2-one
PubChem CID90251201
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-amino-1-benzyl-5-bromopyridin-2-one
SMILESNc1cc(Br)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H11BrN2O/c13-10-6-11(14)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,14H2
InChIKeyFFHJCBIQNGWYOM-UHFFFAOYSA-N
XLogP2.24
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzyl-5-bromopyridin-2-one?
The IUPAC name of 3-amino-1-benzyl-5-bromopyridin-2-one (CID 90251201) is 3-amino-1-benzyl-5-bromopyridin-2-one.
What is the SMILES notation for 3-amino-1-benzyl-5-bromopyridin-2-one?
The canonical SMILES for 3-amino-1-benzyl-5-bromopyridin-2-one is Nc1cc(Br)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 3-amino-1-benzyl-5-bromopyridin-2-one?
The InChIKey is FFHJCBIQNGWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-6-11(14)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,14H2.
What are the key properties of 3-amino-1-benzyl-5-bromopyridin-2-one?
3-amino-1-benzyl-5-bromopyridin-2-one has a molecular weight of 279.14 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzyl-5-bromopyridin-2-one is sourced from PubChem (CID 90251201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).