2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one

C12H11BrFN3O — CID 103218695

IUPAC2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2cccc(F)c2Br)c(=O)c1
InChIInChI=1S/C12H11BrFN3O/c1-15-9-5-11(18)17(16-6-9)7-8-3-2-4-10(14)12(8)13/h2-6,15H,7H2,1H3
InChIKeySCLYFWHAQCDPCY-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.23
Rot. Bonds3

About 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one

2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218695) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218695
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2cccc(F)c2Br)c(=O)c1
InChIInChI=1S/C12H11BrFN3O/c1-15-9-5-11(18)17(16-6-9)7-8-3-2-4-10(14)12(8)13/h2-6,15H,7H2,1H3
InChIKeySCLYFWHAQCDPCY-UHFFFAOYSA-N
XLogP2.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220665
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
CID 103218481
2-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223623
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218474
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218695) is 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(Cc2cccc(F)c2Br)c(=O)c1.
What is the InChIKey of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is SCLYFWHAQCDPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-15-9-5-11(18)17(16-6-9)7-8-3-2-4-10(14)12(8)13/h2-6,15H,7H2,1H3.
What are the key properties of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 312.14 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).