4-bromo-6-chloropyridazin-3-amine

C4H3BrClN3 — CID 22024419

IUPAC4-bromo-6-chloropyridazin-3-amine
SMILESNc1nnc(Cl)cc1Br
InChIInChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKeyFGOWNGCSUSKHQI-UHFFFAOYSA-N
MW208.45 g/mol
LogP1.47
Rot. Bonds

About 4-bromo-6-chloropyridazin-3-amine

4-bromo-6-chloropyridazin-3-amine (PubChem CID 22024419) has the molecular formula C4H3BrClN3 and a molecular weight of 208.45 g/mol. Its IUPAC name is 4-bromo-6-chloropyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-chloropyridazin-3-amine
PubChem CID22024419
Molecular FormulaC4H3BrClN3
Molecular Weight208.45 g/mol
Exact Mass206.92
IUPAC Name4-bromo-6-chloropyridazin-3-amine
SMILESNc1nnc(Cl)cc1Br
InChIInChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKeyFGOWNGCSUSKHQI-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloropyridazin-3-amine?
The IUPAC name of 4-bromo-6-chloropyridazin-3-amine (CID 22024419) is 4-bromo-6-chloropyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-chloropyridazin-3-amine?
The canonical SMILES for 4-bromo-6-chloropyridazin-3-amine is Nc1nnc(Cl)cc1Br.
What is the InChIKey of 4-bromo-6-chloropyridazin-3-amine?
The InChIKey is FGOWNGCSUSKHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9).
What are the key properties of 4-bromo-6-chloropyridazin-3-amine?
4-bromo-6-chloropyridazin-3-amine has a molecular weight of 208.45 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloropyridazin-3-amine is sourced from PubChem (CID 22024419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).