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

C12H10BrFN2O — CID 55035567

IUPAC3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2cc(Br)ccc2F)c1=O
InChIInChI=1S/C12H10BrFN2O/c13-9-3-4-10(14)8(6-9)7-16-5-1-2-11(15)12(16)17/h1-6H,7,15H2
InChIKeySWJLHWHFGPGLEX-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.38
Rot. Bonds2

About 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one

3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one (PubChem CID 55035567) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
PubChem CID55035567
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2cc(Br)ccc2F)c1=O
InChIInChI=1S/C12H10BrFN2O/c13-9-3-4-10(14)8(6-9)7-16-5-1-2-11(15)12(16)17/h1-6H,7,15H2
InChIKeySWJLHWHFGPGLEX-UHFFFAOYSA-N
XLogP2.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017850
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101628
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
3-amino-1-[(3-bromo-5-fluorophenyl)methyl]pyridin-2-one
CID 79710063
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
CID 65317704
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
4-[(5-bromo-2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410570
3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
CID 105403383
5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one
CID 66309355

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one (CID 55035567) is 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one is Nc1cccn(Cc2cc(Br)ccc2F)c1=O.
What is the InChIKey of 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is SWJLHWHFGPGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-9-3-4-10(14)8(6-9)7-16-5-1-2-11(15)12(16)17/h1-6H,7,15H2.
What are the key properties of 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one?
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 297.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 55035567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).