3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine

C15H13ClF3N3 — CID 6410420

IUPAC3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine
SMILESFC(F)(F)c1cccc(C2CCN(c3ccc(Cl)nn3)C2)c1
InChIInChI=1S/C15H13ClF3N3/c16-13-4-5-14(21-20-13)22-7-6-11(9-22)10-2-1-3-12(8-10)15(17,18)19/h1-5,8,11H,6-7,9H2
InChIKeyHEXCDWWIZFBJKV-UHFFFAOYSA-N
MW327.74 g/mol
LogP4.14
Rot. Bonds2

About 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine

3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine (PubChem CID 6410420) has the molecular formula C15H13ClF3N3 and a molecular weight of 327.74 g/mol. Its IUPAC name is 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine
PubChem CID6410420
Molecular FormulaC15H13ClF3N3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC Name3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine
SMILESFC(F)(F)c1cccc(C2CCN(c3ccc(Cl)nn3)C2)c1
InChIInChI=1S/C15H13ClF3N3/c16-13-4-5-14(21-20-13)22-7-6-11(9-22)10-2-1-3-12(8-10)15(17,18)19/h1-5,8,11H,6-7,9H2
InChIKeyHEXCDWWIZFBJKV-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine (CID 6410420) is 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine is FC(F)(F)c1cccc(C2CCN(c3ccc(Cl)nn3)C2)c1.
What is the InChIKey of 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine?
The InChIKey is HEXCDWWIZFBJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3/c16-13-4-5-14(21-20-13)22-7-6-11(9-22)10-2-1-3-12(8-10)15(17,18)19/h1-5,8,11H,6-7,9H2.
What are the key properties of 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine?
3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine has a molecular weight of 327.74 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 6410420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).