5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile

C11H14BrN3O — CID 104505870

IUPAC5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile
SMILESCc1c(N)cn(CCCCC#N)c(=O)c1Br
InChIInChI=1S/C11H14BrN3O/c1-8-9(14)7-15(11(16)10(8)12)6-4-2-3-5-13/h7H,2-4,6,14H2,1H3
InChIKeyJFTBOWNPRLTUGF-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.20
Rot. Bonds4

About 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile

5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile (PubChem CID 104505870) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile.

Molecular Properties

Compound Name5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile
PubChem CID104505870
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile
SMILESCc1c(N)cn(CCCCC#N)c(=O)c1Br
InChIInChI=1S/C11H14BrN3O/c1-8-9(14)7-15(11(16)10(8)12)6-4-2-3-5-13/h7H,2-4,6,14H2,1H3
InChIKeyJFTBOWNPRLTUGF-UHFFFAOYSA-N
XLogP2.20
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile?
The IUPAC name of 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile (CID 104505870) is 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile.
What is the SMILES notation for 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile?
The canonical SMILES for 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile is Cc1c(N)cn(CCCCC#N)c(=O)c1Br.
What is the InChIKey of 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile?
The InChIKey is JFTBOWNPRLTUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-8-9(14)7-15(11(16)10(8)12)6-4-2-3-5-13/h7H,2-4,6,14H2,1H3.
What are the key properties of 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile?
5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile has a molecular weight of 284.16 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile is sourced from PubChem (CID 104505870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).