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

C14H12Cl3N3 — CID 159395616

IUPAC3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
SMILESClc1cc2c(nn1)CCCN2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl3N3/c15-10-3-1-4-11(16)9(10)8-20-6-2-5-12-13(20)7-14(17)19-18-12/h1,3-4,7H,2,5-6,8H2
InChIKeyLMRDGXGOKKZOJT-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.39
Rot. Bonds2

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

3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine (PubChem CID 159395616) has the molecular formula C14H12Cl3N3 and a molecular weight of 328.63 g/mol. Its IUPAC name is 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
PubChem CID159395616
Molecular FormulaC14H12Cl3N3
Molecular Weight328.63 g/mol
Exact Mass327.01
IUPAC Name3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine
SMILESClc1cc2c(nn1)CCCN2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl3N3/c15-10-3-1-4-11(16)9(10)8-20-6-2-5-12-13(20)7-14(17)19-18-12/h1,3-4,7H,2,5-6,8H2
InChIKeyLMRDGXGOKKZOJT-UHFFFAOYSA-N
XLogP4.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The IUPAC name of 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine (CID 159395616) is 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine.
What is the SMILES notation for 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The canonical SMILES for 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine is Clc1cc2c(nn1)CCCN2Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
The InChIKey is LMRDGXGOKKZOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3/c15-10-3-1-4-11(16)9(10)8-20-6-2-5-12-13(20)7-14(17)19-18-12/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine?
3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine has a molecular weight of 328.63 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazine is sourced from PubChem (CID 159395616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).