3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine

C17H13ClFN3S — CID 53484013

IUPAC3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESFc1cccc(Cl)c1CCSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C17H13ClFN3S/c18-13-4-3-5-14(19)12(13)9-11-23-17-8-7-16(21-22-17)15-6-1-2-10-20-15/h1-8,10H,9,11H2
InChIKeyNQQQETMIMSLGGI-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.67
Rot. Bonds5

About 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine

3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 53484013) has the molecular formula C17H13ClFN3S and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID53484013
Molecular FormulaC17H13ClFN3S
Molecular Weight345.83 g/mol
Exact Mass345.05
IUPAC Name3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESFc1cccc(Cl)c1CCSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C17H13ClFN3S/c18-13-4-3-5-14(19)12(13)9-11-23-17-8-7-16(21-22-17)15-6-1-2-10-20-15/h1-8,10H,9,11H2
InChIKeyNQQQETMIMSLGGI-UHFFFAOYSA-N
XLogP4.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine (CID 53484013) is 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine is Fc1cccc(Cl)c1CCSc1ccc(-c2ccccn2)nn1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is NQQQETMIMSLGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3S/c18-13-4-3-5-14(19)12(13)9-11-23-17-8-7-16(21-22-17)15-6-1-2-10-20-15/h1-8,10H,9,11H2.
What are the key properties of 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 345.83 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 53484013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).