6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one

C14H14BrNO2 — CID 54682743

IUPAC6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one
SMILESCc1c(Cc2cccc(Br)c2)[nH]c(=O)c(C)c1O
InChIInChI=1S/C14H14BrNO2/c1-8-12(16-14(18)9(2)13(8)17)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H2,16,17,18)
InChIKeyMGAZWYAEDBGJDD-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one

6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one (PubChem CID 54682743) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one
PubChem CID54682743
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one
SMILESCc1c(Cc2cccc(Br)c2)[nH]c(=O)c(C)c1O
InChIInChI=1S/C14H14BrNO2/c1-8-12(16-14(18)9(2)13(8)17)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H2,16,17,18)
InChIKeyMGAZWYAEDBGJDD-UHFFFAOYSA-N
XLogP3.05
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
CID 123745360
2-[(3-bromophenyl)methyl]-5-methylthiophene
CID 23103385
2-(3-bromophenyl)acetate
CID 3608673
2-amino-6-[2-(3-bromophenyl)ethyl]-3-methyl-1H-pyridin-4-one
CID 91141491
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949
2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952204
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
CID 114010943
2-[(3-bromophenyl)methylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7575625
2-O-[(3-bromophenyl)methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7557828
2-[(3-bromophenyl)methyl]-1H-benzimidazol-4-amine
CID 63690491
1-bromo-3-ethylbenzene;methane
CID 158533972
(3-bromophenyl)methylazanide;yttrium
CID 58710606

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one (CID 54682743) is 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one is Cc1c(Cc2cccc(Br)c2)[nH]c(=O)c(C)c1O.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one?
The InChIKey is MGAZWYAEDBGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-8-12(16-14(18)9(2)13(8)17)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one?
6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 54682743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).