5-bromo-3-(methylamino)-1H-pyridin-2-one

C6H7BrN2O — CID 58229526

IUPAC5-bromo-3-(methylamino)-1H-pyridin-2-one
SMILESCNc1cc(Br)c[nH]c1=O
InChIInChI=1S/C6H7BrN2O/c1-8-5-2-4(7)3-9-6(5)10/h2-3,8H,1H3,(H,9,10)
InChIKeyNSOCLSZDLJNDOK-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.18
Rot. Bonds1

About 5-bromo-3-(methylamino)-1H-pyridin-2-one

5-bromo-3-(methylamino)-1H-pyridin-2-one (PubChem CID 58229526) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-3-(methylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(methylamino)-1H-pyridin-2-one
PubChem CID58229526
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-3-(methylamino)-1H-pyridin-2-one
SMILESCNc1cc(Br)c[nH]c1=O
InChIInChI=1S/C6H7BrN2O/c1-8-5-2-4(7)3-9-6(5)10/h2-3,8H,1H3,(H,9,10)
InChIKeyNSOCLSZDLJNDOK-UHFFFAOYSA-N
XLogP1.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylamino)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(methylamino)-1H-pyridin-2-one (CID 58229526) is 5-bromo-3-(methylamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(methylamino)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(methylamino)-1H-pyridin-2-one is CNc1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-3-(methylamino)-1H-pyridin-2-one?
The InChIKey is NSOCLSZDLJNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-8-5-2-4(7)3-9-6(5)10/h2-3,8H,1H3,(H,9,10).
What are the key properties of 5-bromo-3-(methylamino)-1H-pyridin-2-one?
5-bromo-3-(methylamino)-1H-pyridin-2-one has a molecular weight of 203.04 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylamino)-1H-pyridin-2-one is sourced from PubChem (CID 58229526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).