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

C13H12BrClN2O2 — CID 80501741

IUPAC5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cl)cc1Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-19-12-3-2-9(15)4-8(12)6-17-7-10(16)5-11(14)13(17)18/h2-5,7H,6,16H2,1H3
InChIKeyNBLIMBVBCUPLNO-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.90
Rot. Bonds3

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

5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 80501741) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one
PubChem CID80501741
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cl)cc1Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-19-12-3-2-9(15)4-8(12)6-17-7-10(16)5-11(14)13(17)18/h2-5,7H,6,16H2,1H3
InChIKeyNBLIMBVBCUPLNO-UHFFFAOYSA-N
XLogP2.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 103046554
5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one
CID 80501995
5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 113365829
5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
CID 80501773
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
1-[(2-amino-5-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130910
1-[(5-amino-2-methoxyphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66423554
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
CID 43646691
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406454
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one (CID 80501741) is 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cl)cc1Cn1cc(N)cc(Br)c1=O.
What is the InChIKey of 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is NBLIMBVBCUPLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-19-12-3-2-9(15)4-8(12)6-17-7-10(16)5-11(14)13(17)18/h2-5,7H,6,16H2,1H3.
What are the key properties of 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one?
5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 343.61 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 80501741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).