3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine

C16H12FN3S — CID 7222423

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
SMILESFc1cccc(CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C16H12FN3S/c17-14-5-1-3-12(9-14)11-21-16-7-6-15(19-20-16)13-4-2-8-18-10-13/h1-10H,11H2
InChIKeyABTAYBPCELAMBH-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.97
Rot. Bonds4

About 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine

3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine (PubChem CID 7222423) has the molecular formula C16H12FN3S and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
PubChem CID7222423
Molecular FormulaC16H12FN3S
Molecular Weight297.36 g/mol
Exact Mass297.07
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
SMILESFc1cccc(CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C16H12FN3S/c17-14-5-1-3-12(9-14)11-21-16-7-6-15(19-20-16)13-4-2-8-18-10-13/h1-10H,11H2
InChIKeyABTAYBPCELAMBH-UHFFFAOYSA-N
XLogP3.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine (CID 7222423) is 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine is Fc1cccc(CSc2ccc(-c3cccnc3)nn2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The InChIKey is ABTAYBPCELAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3S/c17-14-5-1-3-12(9-14)11-21-16-7-6-15(19-20-16)13-4-2-8-18-10-13/h1-10H,11H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine has a molecular weight of 297.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine is sourced from PubChem (CID 7222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).