5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one

C11H15BrN2O — CID 165479336

IUPAC5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCCC2CC2)c1
InChIInChI=1S/C11H15BrN2O/c12-10-6-9(13)7-14(11(10)15)5-1-2-8-3-4-8/h6-8H,1-5,13H2
InChIKeyYJWSOMQGILRJLJ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.38
Rot. Bonds4

About 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one

5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one (PubChem CID 165479336) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one
PubChem CID165479336
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCCC2CC2)c1
InChIInChI=1S/C11H15BrN2O/c12-10-6-9(13)7-14(11(10)15)5-1-2-8-3-4-8/h6-8H,1-5,13H2
InChIKeyYJWSOMQGILRJLJ-UHFFFAOYSA-N
XLogP2.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one (CID 165479336) is 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one is Nc1cc(Br)c(=O)n(CCCC2CC2)c1.
What is the InChIKey of 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one?
The InChIKey is YJWSOMQGILRJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-6-9(13)7-14(11(10)15)5-1-2-8-3-4-8/h6-8H,1-5,13H2.
What are the key properties of 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one?
5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one has a molecular weight of 271.16 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(3-cyclopropylpropyl)pyridin-2-one is sourced from PubChem (CID 165479336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).