N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide

C9H11BrClN3O — CID 127119625

IUPACN-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(Cl)cc1Br
InChIInChI=1S/C9H11BrClN3O/c1-9(2,3)8(15)12-7-5(10)4-6(11)13-14-7/h4H,1-3H3,(H,12,14,15)
InChIKeyGJKRTGBXRVEWQX-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.88
Rot. Bonds1

About N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide

N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide (PubChem CID 127119625) has the molecular formula C9H11BrClN3O and a molecular weight of 292.56 g/mol. Its IUPAC name is N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide
PubChem CID127119625
Molecular FormulaC9H11BrClN3O
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC NameN-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(Cl)cc1Br
InChIInChI=1S/C9H11BrClN3O/c1-9(2,3)8(15)12-7-5(10)4-6(11)13-14-7/h4H,1-3H3,(H,12,14,15)
InChIKeyGJKRTGBXRVEWQX-UHFFFAOYSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide (CID 127119625) is N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nnc(Cl)cc1Br.
What is the InChIKey of N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is GJKRTGBXRVEWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O/c1-9(2,3)8(15)12-7-5(10)4-6(11)13-14-7/h4H,1-3H3,(H,12,14,15).
What are the key properties of N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide?
N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 292.56 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 127119625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).