5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one

C12H8Br2FNO — CID 47214230

IUPAC5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cc(Br)ccc1F
InChIInChI=1S/C12H8Br2FNO/c13-9-1-3-11(15)8(5-9)6-16-7-10(14)2-4-12(16)17/h1-5,7H,6H2
InChIKeyJQZUXADZDDISHY-UHFFFAOYSA-N
MW361.01 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one

5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one (PubChem CID 47214230) has the molecular formula C12H8Br2FNO and a molecular weight of 361.01 g/mol. Its IUPAC name is 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
PubChem CID47214230
Molecular FormulaC12H8Br2FNO
Molecular Weight361.01 g/mol
Exact Mass358.90
IUPAC Name5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cc(Br)ccc1F
InChIInChI=1S/C12H8Br2FNO/c13-9-1-3-11(15)8(5-9)6-16-7-10(14)2-4-12(16)17/h1-5,7H,6H2
InChIKeyJQZUXADZDDISHY-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.01
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-oxo-1-pyridinyl)methyl]-4-fluorobenzoic acid
CID 107452073
1-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79784539
1-[(2-amino-4-chlorophenyl)methyl]-5-bromopyridin-2-one
CID 55036985
5-bromo-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 60665584
5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
CID 155295102
4-[(5-bromo-2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410570
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
1-[(2,5-difluorophenyl)methyl]-5-iodopyridin-2-one
CID 79785122
5-bromo-1-[(4-fluoro-3-nitrophenyl)methyl]pyridin-2-one
CID 129052076

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one (CID 47214230) is 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is JQZUXADZDDISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO/c13-9-1-3-11(15)8(5-9)6-16-7-10(14)2-4-12(16)17/h1-5,7H,6H2.
What are the key properties of 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 361.01 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 47214230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).