5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile

C7H6BrN3O — CID 177163640

IUPAC5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCn1c(C#N)cc(Br)c(N)c1=O
InChIInChI=1S/C7H6BrN3O/c1-11-4(3-9)2-5(8)6(10)7(11)12/h2H,10H2,1H3
InChIKeyDSZNPOBBYWOGOS-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.60
Rot. Bonds

About 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile

5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile (PubChem CID 177163640) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile
PubChem CID177163640
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCn1c(C#N)cc(Br)c(N)c1=O
InChIInChI=1S/C7H6BrN3O/c1-11-4(3-9)2-5(8)6(10)7(11)12/h2H,10H2,1H3
InChIKeyDSZNPOBBYWOGOS-UHFFFAOYSA-N
XLogP0.60
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile (CID 177163640) is 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile is Cn1c(C#N)cc(Br)c(N)c1=O.
What is the InChIKey of 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile?
The InChIKey is DSZNPOBBYWOGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-11-4(3-9)2-5(8)6(10)7(11)12/h2H,10H2,1H3.
What are the key properties of 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile?
5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile has a molecular weight of 228.05 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-1-methyl-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 177163640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).