N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide

C12H9ClFN3O2 — CID 4796470

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1=O
InChIInChI=1S/C12H9ClFN3O2/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-9(14)8(13)6-7/h2-6H,1H3,(H,15,19)
InChIKeyPJQGZUSONZDKLV-UHFFFAOYSA-N
MW281.67 g/mol
LogP1.83
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 4796470) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID4796470
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1=O
InChIInChI=1S/C12H9ClFN3O2/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-9(14)8(13)6-7/h2-6H,1H3,(H,15,19)
InChIKeyPJQGZUSONZDKLV-UHFFFAOYSA-N
XLogP1.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 939768
N-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 940016
4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxamide
CID 1486255
N-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 947023
US11690850, Example 1
CID 156391495
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 2475171
1-(3-chloro-4-fluorophenyl)-3-(2-(6-oxopyridazin-1(6H)-yl)ethyl)urea
CID 30942544
US11690850, Example 7
CID 156391467
N-(2-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4780429
N-(5-chloro-2-methylphenyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 8502280
N-(4-chlorophenyl)-6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxamide
CID 18081279
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 27376567

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 4796470) is N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PJQGZUSONZDKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-9(14)8(13)6-7/h2-6H,1H3,(H,15,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 4796470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).