3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine

C15H13Cl3FN3 — CID 147302680

IUPAC3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
SMILESC[C@H](c1c(Cl)ccc(F)c1Cl)N1CCCc2nnc(Cl)cc21
InChIInChI=1S/C15H13Cl3FN3/c1-8(14-9(16)4-5-10(19)15(14)18)22-6-2-3-11-12(22)7-13(17)21-20-11/h4-5,7-8H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyCWJZQCOFVNTKPE-MRVPVSSYSA-N
MW360.65 g/mol
LogP5.09
Rot. Bonds2

About 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine

3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine (PubChem CID 147302680) has the molecular formula C15H13Cl3FN3 and a molecular weight of 360.65 g/mol. Its IUPAC name is 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
PubChem CID147302680
Molecular FormulaC15H13Cl3FN3
Molecular Weight360.65 g/mol
Exact Mass359.02
IUPAC Name3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
SMILESC[C@H](c1c(Cl)ccc(F)c1Cl)N1CCCc2nnc(Cl)cc21
InChIInChI=1S/C15H13Cl3FN3/c1-8(14-9(16)4-5-10(19)15(14)18)22-6-2-3-11-12(22)7-13(17)21-20-11/h4-5,7-8H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyCWJZQCOFVNTKPE-MRVPVSSYSA-N
XLogP5.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.65
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The IUPAC name of 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine (CID 147302680) is 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine.
What is the SMILES notation for 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The canonical SMILES for 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine is C[C@H](c1c(Cl)ccc(F)c1Cl)N1CCCc2nnc(Cl)cc21.
What is the InChIKey of 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The InChIKey is CWJZQCOFVNTKPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13Cl3FN3/c1-8(14-9(16)4-5-10(19)15(14)18)22-6-2-3-11-12(22)7-13(17)21-20-11/h4-5,7-8H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine has a molecular weight of 360.65 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine is sourced from PubChem (CID 147302680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).