1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one

C12H10Br2N2O — CID 114760067

IUPAC1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
SMILESNc1ccc(Cn2cccc(Br)c2=O)c(Br)c1
InChIInChI=1S/C12H10Br2N2O/c13-10-2-1-5-16(12(10)17)7-8-3-4-9(15)6-11(8)14/h1-6H,7,15H2
InChIKeyLBAOPSHNLVAKSP-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.00
Rot. Bonds2

About 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one

1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one (PubChem CID 114760067) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one.

Molecular Properties

Compound Name1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
PubChem CID114760067
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
SMILESNc1ccc(Cn2cccc(Br)c2=O)c(Br)c1
InChIInChI=1S/C12H10Br2N2O/c13-10-2-1-5-16(12(10)17)7-8-3-4-9(15)6-11(8)14/h1-6H,7,15H2
InChIKeyLBAOPSHNLVAKSP-UHFFFAOYSA-N
XLogP3.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one?
The IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one (CID 114760067) is 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one.
What is the SMILES notation for 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one?
The canonical SMILES for 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one is Nc1ccc(Cn2cccc(Br)c2=O)c(Br)c1.
What is the InChIKey of 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one?
The InChIKey is LBAOPSHNLVAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-10-2-1-5-16(12(10)17)7-8-3-4-9(15)6-11(8)14/h1-6H,7,15H2.
What are the key properties of 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one?
1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one has a molecular weight of 358.03 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one is sourced from PubChem (CID 114760067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).