N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide

C12H9BrF2N4O — CID 62167720

IUPACN-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)nn1
InChIInChI=1S/C12H9BrF2N4O/c1-16-10-3-2-9(18-19-10)12(20)17-11-7(13)4-6(14)5-8(11)15/h2-5H,1H3,(H,16,19)(H,17,20)
InChIKeyDPQYXBBPZMYNRK-UHFFFAOYSA-N
MW343.13 g/mol
LogP2.81
Rot. Bonds3

About N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 62167720) has the molecular formula C12H9BrF2N4O and a molecular weight of 343.13 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID62167720
Molecular FormulaC12H9BrF2N4O
Molecular Weight343.13 g/mol
Exact Mass341.99
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)nn1
InChIInChI=1S/C12H9BrF2N4O/c1-16-10-3-2-9(18-19-10)12(20)17-11-7(13)4-6(14)5-8(11)15/h2-5H,1H3,(H,16,19)(H,17,20)
InChIKeyDPQYXBBPZMYNRK-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-(2,6-dibromophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 107603307
N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79047301
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189
N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62166760
N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62165617
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
N-(4-bromo-2-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167689
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 62167720) is N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)nn1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is DPQYXBBPZMYNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N4O/c1-16-10-3-2-9(18-19-10)12(20)17-11-7(13)4-6(14)5-8(11)15/h2-5H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62167720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).