3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one

C7H9BrN2O2 — CID 103961823

IUPAC3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one
SMILESCOCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C7H9BrN2O2/c1-12-4-10-2-5(8)7(11)6(9)3-10/h2-3H,4,9H2,1H3
InChIKeyMXKJCVHTMBRRBA-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.80
Rot. Bonds2

About 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one

3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one (PubChem CID 103961823) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one
PubChem CID103961823
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one
SMILESCOCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C7H9BrN2O2/c1-12-4-10-2-5(8)7(11)6(9)3-10/h2-3H,4,9H2,1H3
InChIKeyMXKJCVHTMBRRBA-UHFFFAOYSA-N
XLogP0.80
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one (CID 103961823) is 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one is COCn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one?
The InChIKey is MXKJCVHTMBRRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-12-4-10-2-5(8)7(11)6(9)3-10/h2-3H,4,9H2,1H3.
What are the key properties of 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one?
3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one has a molecular weight of 233.06 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(methoxymethyl)pyridin-4-one is sourced from PubChem (CID 103961823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).