3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one

C7H9BrN2O — CID 14939933

IUPAC3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)c(C)c1Br
InChIInChI=1S/C7H9BrN2O/c1-3-5(8)4(2)10-7(11)6(3)9/h9H2,1-2H3,(H,10,11)
InChIKeyGRROHPGZODDYGV-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.34
Rot. Bonds

About 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one

3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 14939933) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one
PubChem CID14939933
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)c(C)c1Br
InChIInChI=1S/C7H9BrN2O/c1-3-5(8)4(2)10-7(11)6(3)9/h9H2,1-2H3,(H,10,11)
InChIKeyGRROHPGZODDYGV-UHFFFAOYSA-N
XLogP1.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one (CID 14939933) is 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(N)c(C)c1Br.
What is the InChIKey of 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is GRROHPGZODDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-3-5(8)4(2)10-7(11)6(3)9/h9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one?
3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 217.07 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 14939933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).