3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine

C15H12ClF4N3 — CID 147262898

IUPAC3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
SMILESFc1ccc(C(F)(F)F)c(CN2CCCc3nnc(Cl)cc32)c1
InChIInChI=1S/C15H12ClF4N3/c16-14-7-13-12(21-22-14)2-1-5-23(13)8-9-6-10(17)3-4-11(9)15(18,19)20/h3-4,6-7H,1-2,5,8H2
InChIKeyCOXLCYBRCJKKJO-UHFFFAOYSA-N
MW345.73 g/mol
LogP4.24
Rot. Bonds2

About 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine

3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine (PubChem CID 147262898) has the molecular formula C15H12ClF4N3 and a molecular weight of 345.73 g/mol. Its IUPAC name is 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
PubChem CID147262898
Molecular FormulaC15H12ClF4N3
Molecular Weight345.73 g/mol
Exact Mass345.07
IUPAC Name3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
SMILESFc1ccc(C(F)(F)F)c(CN2CCCc3nnc(Cl)cc32)c1
InChIInChI=1S/C15H12ClF4N3/c16-14-7-13-12(21-22-14)2-1-5-23(13)8-9-6-10(17)3-4-11(9)15(18,19)20/h3-4,6-7H,1-2,5,8H2
InChIKeyCOXLCYBRCJKKJO-UHFFFAOYSA-N
XLogP4.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The IUPAC name of 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine (CID 147262898) is 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine.
What is the SMILES notation for 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The canonical SMILES for 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine is Fc1ccc(C(F)(F)F)c(CN2CCCc3nnc(Cl)cc32)c1.
What is the InChIKey of 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The InChIKey is COXLCYBRCJKKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N3/c16-14-7-13-12(21-22-14)2-1-5-23(13)8-9-6-10(17)3-4-11(9)15(18,19)20/h3-4,6-7H,1-2,5,8H2.
What are the key properties of 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine has a molecular weight of 345.73 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine is sourced from PubChem (CID 147262898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).