1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile

C10H9BrN2O — CID 75523007

IUPAC1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESC=C(Br)Cn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C10H9BrN2O/c1-7-3-4-13(6-8(2)11)10(14)9(7)5-12/h3-4H,2,6H2,1H3
InChIKeyFHELLTKPVKOICB-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.94
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 75523007) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID75523007
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESC=C(Br)Cn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C10H9BrN2O/c1-7-3-4-13(6-8(2)11)10(14)9(7)5-12/h3-4H,2,6H2,1H3
InChIKeyFHELLTKPVKOICB-UHFFFAOYSA-N
XLogP1.94
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 75523007) is 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile is C=C(Br)Cn1ccc(C)c(C#N)c1=O.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FHELLTKPVKOICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-7-3-4-13(6-8(2)11)10(14)9(7)5-12/h3-4H,2,6H2,1H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 253.10 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 75523007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).