3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one

C14H15BrN2O — CID 82525499

IUPAC3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(Br)cc2)c(=O)n1C
InChIInChI=1S/C14H15BrN2O/c1-9-3-8-12(14(18)17(9)2)13(16)10-4-6-11(15)7-5-10/h3-8,13H,16H2,1-2H3
InChIKeyOZNKBQAQSPVLSV-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.50
Rot. Bonds2

About 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one

3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one (PubChem CID 82525499) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
PubChem CID82525499
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(Br)cc2)c(=O)n1C
InChIInChI=1S/C14H15BrN2O/c1-9-3-8-12(14(18)17(9)2)13(16)10-4-6-11(15)7-5-10/h3-8,13H,16H2,1-2H3
InChIKeyOZNKBQAQSPVLSV-UHFFFAOYSA-N
XLogP2.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525271
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524594
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
CID 82525197
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
CID 82526914

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one (CID 82525499) is 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one is Cc1ccc(C(N)c2ccc(Br)cc2)c(=O)n1C.
What is the InChIKey of 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one?
The InChIKey is OZNKBQAQSPVLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-3-8-12(14(18)17(9)2)13(16)10-4-6-11(15)7-5-10/h3-8,13H,16H2,1-2H3.
What are the key properties of 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one?
3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one has a molecular weight of 307.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).