1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile

C12H8BrN3O — CID 82422026

IUPAC1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile
SMILESCc1cc(=O)c(C#N)nn1-c1ccccc1Br
InChIInChI=1S/C12H8BrN3O/c1-8-6-12(17)10(7-14)15-16(8)11-5-3-2-4-9(11)13/h2-6H,1H3
InChIKeyDHSJZOQOYXNQGH-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.18
Rot. Bonds1

About 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile

1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile (PubChem CID 82422026) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile
PubChem CID82422026
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile
SMILESCc1cc(=O)c(C#N)nn1-c1ccccc1Br
InChIInChI=1S/C12H8BrN3O/c1-8-6-12(17)10(7-14)15-16(8)11-5-3-2-4-9(11)13/h2-6H,1H3
InChIKeyDHSJZOQOYXNQGH-UHFFFAOYSA-N
XLogP2.18
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridazine-3-carbonitrile
CID 82420881
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
1-(2-bromophenyl)-N-ethyl-5-methylpyrazole-3-carboxamide
CID 165489148
5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
CID 129453009
1-(2-bromo-4-iodophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 114260944
2-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]acetonitrile
CID 82420573
3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
CID 59022551
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602
1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
CID 82091650
2-[1-(2-ethylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82080830
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile?
The IUPAC name of 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile (CID 82422026) is 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile.
What is the SMILES notation for 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile?
The canonical SMILES for 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile is Cc1cc(=O)c(C#N)nn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile?
The InChIKey is DHSJZOQOYXNQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c1-8-6-12(17)10(7-14)15-16(8)11-5-3-2-4-9(11)13/h2-6H,1H3.
What are the key properties of 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile?
1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile has a molecular weight of 290.12 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile is sourced from PubChem (CID 82422026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).