4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile

C11H14BrN3O — CID 103961795

IUPAC4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C11H14BrN3O/c1-11(2,7-13)3-4-15-5-8(12)10(16)9(14)6-15/h5-6H,3-4,14H2,1-2H3
InChIKeyRQAOEYBKQGILNC-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.13
Rot. Bonds3

About 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile

4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile (PubChem CID 103961795) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile
PubChem CID103961795
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C11H14BrN3O/c1-11(2,7-13)3-4-15-5-8(12)10(16)9(14)6-15/h5-6H,3-4,14H2,1-2H3
InChIKeyRQAOEYBKQGILNC-UHFFFAOYSA-N
XLogP2.13
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile (CID 103961795) is 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile is CC(C)(C#N)CCn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile?
The InChIKey is RQAOEYBKQGILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-11(2,7-13)3-4-15-5-8(12)10(16)9(14)6-15/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile?
4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile has a molecular weight of 284.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103961795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).