2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine

C11H9BrF3N3 — CID 143098914

IUPAC2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine
SMILESCC1=CC(C(F)(F)F)=NN(c2ncccc2Br)C1
InChIInChI=1S/C11H9BrF3N3/c1-7-5-9(11(13,14)15)17-18(6-7)10-8(12)3-2-4-16-10/h2-5H,6H2,1H3
InChIKeyFUFSYHRGAKGJTQ-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.53
Rot. Bonds1

About 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine

2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine (PubChem CID 143098914) has the molecular formula C11H9BrF3N3 and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine
PubChem CID143098914
Molecular FormulaC11H9BrF3N3
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine
SMILESCC1=CC(C(F)(F)F)=NN(c2ncccc2Br)C1
InChIInChI=1S/C11H9BrF3N3/c1-7-5-9(11(13,14)15)17-18(6-7)10-8(12)3-2-4-16-10/h2-5H,6H2,1H3
InChIKeyFUFSYHRGAKGJTQ-UHFFFAOYSA-N
XLogP3.53
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine (CID 143098914) is 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine is CC1=CC(C(F)(F)F)=NN(c2ncccc2Br)C1.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine?
The InChIKey is FUFSYHRGAKGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3/c1-7-5-9(11(13,14)15)17-18(6-7)10-8(12)3-2-4-16-10/h2-5H,6H2,1H3.
What are the key properties of 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine?
2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine has a molecular weight of 320.11 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-4-methyl-6-(trifluoromethyl)-3H-pyridazine is sourced from PubChem (CID 143098914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).