5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one

C13H13BrN2O2 — CID 113365829

IUPAC5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2ccc(CO)cc2)c1
InChIInChI=1S/C13H13BrN2O2/c14-12-5-11(15)7-16(13(12)18)6-9-1-3-10(8-17)4-2-9/h1-5,7,17H,6,8,15H2
InChIKeyMEPNLXQVKCHKIS-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one

5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (PubChem CID 113365829) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
PubChem CID113365829
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESNc1cc(Br)c(=O)n(Cc2ccc(CO)cc2)c1
InChIInChI=1S/C13H13BrN2O2/c14-12-5-11(15)7-16(13(12)18)6-9-1-3-10(8-17)4-2-9/h1-5,7,17H,6,8,15H2
InChIKeyMEPNLXQVKCHKIS-UHFFFAOYSA-N
XLogP1.73
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 80501886
5-amino-3-bromo-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
CID 80501773
5-[(5-amino-3-bromo-2-oxo-1-pyridinyl)methyl]-2-fluorobenzonitrile
CID 107880903
5-amino-3-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 103046554
5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 102855891
5-amino-3-bromo-1-[(2,5-difluorophenyl)methyl]pyridin-2-one
CID 80501995
5-amino-3-bromo-1-[(5-chloro-2-methoxyphenyl)methyl]pyridin-2-one
CID 80501741
3-(5-amino-3-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
CID 80501697
5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 80501801
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide
CID 80501784
5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one
CID 80501621
5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
CID 80501785

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (CID 113365829) is 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is Nc1cc(Br)c(=O)n(Cc2ccc(CO)cc2)c1.
What is the InChIKey of 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is MEPNLXQVKCHKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-12-5-11(15)7-16(13(12)18)6-9-1-3-10(8-17)4-2-9/h1-5,7,17H,6,8,15H2.
What are the key properties of 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 309.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 113365829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).