3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine

C16H9ClF3N3 — CID 154394391

IUPAC3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1cc(-c2c(F)cc(F)cc2F)c(-c2ccc(Cl)nc2)nn1
InChIInChI=1S/C16H9ClF3N3/c1-8-4-11(15-12(19)5-10(18)6-13(15)20)16(23-22-8)9-2-3-14(17)21-7-9/h2-7H,1H3
InChIKeyBSPVAYQKMGQZOU-UHFFFAOYSA-N
MW335.72 g/mol
LogP4.58
Rot. Bonds2

About 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine

3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 154394391) has the molecular formula C16H9ClF3N3 and a molecular weight of 335.72 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID154394391
Molecular FormulaC16H9ClF3N3
Molecular Weight335.72 g/mol
Exact Mass335.04
IUPAC Name3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1cc(-c2c(F)cc(F)cc2F)c(-c2ccc(Cl)nc2)nn1
InChIInChI=1S/C16H9ClF3N3/c1-8-4-11(15-12(19)5-10(18)6-13(15)20)16(23-22-8)9-2-3-14(17)21-7-9/h2-7H,1H3
InChIKeyBSPVAYQKMGQZOU-UHFFFAOYSA-N
XLogP4.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine (CID 154394391) is 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine is Cc1cc(-c2c(F)cc(F)cc2F)c(-c2ccc(Cl)nc2)nn1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is BSPVAYQKMGQZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3/c1-8-4-11(15-12(19)5-10(18)6-13(15)20)16(23-22-8)9-2-3-14(17)21-7-9/h2-7H,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 335.72 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 154394391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).