3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine

C15H13ClFN3 — CID 6404200

IUPAC3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
SMILESFc1ccc(C2=CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C15H13ClFN3/c16-14-5-6-15(19-18-14)20-9-7-12(8-10-20)11-1-3-13(17)4-2-11/h1-7H,8-10H2
InChIKeyOSEXLGZWZFYVKI-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.56
Rot. Bonds2

About 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine

3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine (PubChem CID 6404200) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
PubChem CID6404200
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
SMILESFc1ccc(C2=CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C15H13ClFN3/c16-14-5-6-15(19-18-14)20-9-7-12(8-10-20)11-1-3-13(17)4-2-11/h1-7H,8-10H2
InChIKeyOSEXLGZWZFYVKI-UHFFFAOYSA-N
XLogP3.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine (CID 6404200) is 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine is Fc1ccc(C2=CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
The InChIKey is OSEXLGZWZFYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-14-5-6-15(19-18-14)20-9-7-12(8-10-20)11-1-3-13(17)4-2-11/h1-7H,8-10H2.
What are the key properties of 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine has a molecular weight of 289.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine is sourced from PubChem (CID 6404200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).