N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide

C12H10BrClN4O — CID 103481373

IUPACN-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cccc(Cl)c2Br)nn1
InChIInChI=1S/C12H10BrClN4O/c1-15-10-6-5-9(17-18-10)12(19)16-8-4-2-3-7(14)11(8)13/h2-6H,1H3,(H,15,18)(H,16,19)
InChIKeyCSSIJNFMFBTVKI-UHFFFAOYSA-N
MW341.60 g/mol
LogP3.19
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 103481373) has the molecular formula C12H10BrClN4O and a molecular weight of 341.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID103481373
Molecular FormulaC12H10BrClN4O
Molecular Weight341.60 g/mol
Exact Mass339.97
IUPAC NameN-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cccc(Cl)c2Br)nn1
InChIInChI=1S/C12H10BrClN4O/c1-15-10-6-5-9(17-18-10)12(19)16-8-4-2-3-7(14)11(8)13/h2-6H,1H3,(H,15,18)(H,16,19)
InChIKeyCSSIJNFMFBTVKI-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167689
N-(2,6-dibromophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 107603307
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
N-(2-ethylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042896
6-(methylamino)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 62187272
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
CID 103478796
6-amino-N-(2-bromo-3-chlorophenyl)pyridine-2-carboxamide
CID 103481383
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 103481467

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 103481373) is N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2cccc(Cl)c2Br)nn1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is CSSIJNFMFBTVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O/c1-15-10-6-5-9(17-18-10)12(19)16-8-4-2-3-7(14)11(8)13/h2-6H,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 341.60 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 103481373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).