4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine

C11H7BrClFN2 — CID 117106815

IUPAC4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine
SMILESFc1ccc(Cc2cc(Br)c(Cl)nn2)cc1
InChIInChI=1S/C11H7BrClFN2/c12-10-6-9(15-16-11(10)13)5-7-1-3-8(14)4-2-7/h1-4,6H,5H2
InChIKeyTXVAYOWYXOGCQM-UHFFFAOYSA-N
MW301.55 g/mol
LogP3.62
Rot. Bonds2

About 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine

4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine (PubChem CID 117106815) has the molecular formula C11H7BrClFN2 and a molecular weight of 301.55 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine
PubChem CID117106815
Molecular FormulaC11H7BrClFN2
Molecular Weight301.55 g/mol
Exact Mass299.95
IUPAC Name4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine
SMILESFc1ccc(Cc2cc(Br)c(Cl)nn2)cc1
InChIInChI=1S/C11H7BrClFN2/c12-10-6-9(15-16-11(10)13)5-7-1-3-8(14)4-2-7/h1-4,6H,5H2
InChIKeyTXVAYOWYXOGCQM-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine (CID 117106815) is 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine is Fc1ccc(Cc2cc(Br)c(Cl)nn2)cc1.
What is the InChIKey of 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine?
The InChIKey is TXVAYOWYXOGCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2/c12-10-6-9(15-16-11(10)13)5-7-1-3-8(14)4-2-7/h1-4,6H,5H2.
What are the key properties of 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine?
4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine has a molecular weight of 301.55 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine is sourced from PubChem (CID 117106815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).