2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide

C12H10BrN3O2 — CID 116787212

IUPAC2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(=O)[nH]n2)c(Br)c1
InChIInChI=1S/C12H10BrN3O2/c1-7-2-3-8(9(13)6-7)12(18)14-10-4-5-11(17)16-15-10/h2-6H,1H3,(H,16,17)(H,14,15,18)
InChIKeySMXMNGMNVQEMAK-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.09
Rot. Bonds2

About 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide

2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 116787212) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID116787212
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(=O)[nH]n2)c(Br)c1
InChIInChI=1S/C12H10BrN3O2/c1-7-2-3-8(9(13)6-7)12(18)14-10-4-5-11(17)16-15-10/h2-6H,1H3,(H,16,17)(H,14,15,18)
InChIKeySMXMNGMNVQEMAK-UHFFFAOYSA-N
XLogP2.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
2-hydrazinyl-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788149
2-hydrazinyl-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788140
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887302
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
CID 116787231
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
CID 84590331
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
CID 116787203

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 116787212) is 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccc(=O)[nH]n2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is SMXMNGMNVQEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-7-2-3-8(9(13)6-7)12(18)14-10-4-5-11(17)16-15-10/h2-6H,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 308.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 116787212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).