N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H9BrFN3O2 — CID 43582884

IUPACN-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(Br)ccc2F)=NN1
InChIInChI=1S/C11H9BrFN3O2/c12-6-1-2-7(13)9(5-6)14-11(18)8-3-4-10(17)16-15-8/h1-2,5H,3-4H2,(H,14,18)(H,16,17)
InChIKeyKOSQDCVCSUQAJW-UHFFFAOYSA-N
MW314.11 g/mol
LogP1.79
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43582884) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43582884
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC NameN-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(Br)ccc2F)=NN1
InChIInChI=1S/C11H9BrFN3O2/c12-6-1-2-7(13)9(5-6)14-11(18)8-3-4-10(17)16-15-8/h1-2,5H,3-4H2,(H,14,18)(H,16,17)
InChIKeyKOSQDCVCSUQAJW-UHFFFAOYSA-N
XLogP1.79
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107800366
4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 43358589
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43358146
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-(5-carbamoyl-2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273727
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792906
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60737083

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43582884) is N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(Br)ccc2F)=NN1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is KOSQDCVCSUQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c12-6-1-2-7(13)9(5-6)14-11(18)8-3-4-10(17)16-15-8/h1-2,5H,3-4H2,(H,14,18)(H,16,17).
What are the key properties of N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 314.11 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43582884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).