6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine

C11H9BrClN3 — CID 82779563

IUPAC6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2ccc(Br)cc2Cl)nn1
InChIInChI=1S/C11H9BrClN3/c1-14-11-5-4-10(15-16-11)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,16)
InChIKeyXQOMZKPZGFXXQD-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.60
Rot. Bonds2

About 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine

6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine (PubChem CID 82779563) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine
PubChem CID82779563
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2ccc(Br)cc2Cl)nn1
InChIInChI=1S/C11H9BrClN3/c1-14-11-5-4-10(15-16-11)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,16)
InChIKeyXQOMZKPZGFXXQD-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine?
The IUPAC name of 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine (CID 82779563) is 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine is CNc1ccc(-c2ccc(Br)cc2Cl)nn1.
What is the InChIKey of 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine?
The InChIKey is XQOMZKPZGFXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c1-14-11-5-4-10(15-16-11)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,16).
What are the key properties of 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine?
6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine has a molecular weight of 298.57 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 82779563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).