N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide

C12H10BrFN4O — CID 65435257

IUPACN-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C12H10BrFN4O/c1-15-11-5-4-10(17-18-11)12(19)16-7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H,15,18)(H,16,19)
InChIKeyJQWUYLMYDYQZDI-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.67
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 65435257) has the molecular formula C12H10BrFN4O and a molecular weight of 325.14 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID65435257
Molecular FormulaC12H10BrFN4O
Molecular Weight325.14 g/mol
Exact Mass324.00
IUPAC NameN-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C12H10BrFN4O/c1-15-11-5-4-10(17-18-11)12(19)16-7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H,15,18)(H,16,19)
InChIKeyJQWUYLMYDYQZDI-UHFFFAOYSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 82860303
N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167720
N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79047301
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 65435448
N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 65437023
6-(methylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 62165036
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(2,6-dibromophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 107603307
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 65435257) is N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc(Br)c(F)c2)nn1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is JQWUYLMYDYQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O/c1-15-11-5-4-10(17-18-11)12(19)16-7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 65435257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).