6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine

C24H18ClFN2O2 — CID 71275876

IUPAC6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESFc1cccc(Cl)c1-c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C24H18ClFN2O2/c25-19-12-7-13-20(26)23(19)21-14-22(29-15-17-8-3-1-4-9-17)24(28-27-21)30-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyKCVJAUZQEDFDBI-UHFFFAOYSA-N
MW420.87 g/mol
LogP6.09
Rot. Bonds7

About 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine

6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 71275876) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
PubChem CID71275876
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESFc1cccc(Cl)c1-c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C24H18ClFN2O2/c25-19-12-7-13-20(26)23(19)21-14-22(29-15-17-8-3-1-4-9-17)24(28-27-21)30-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyKCVJAUZQEDFDBI-UHFFFAOYSA-N
XLogP6.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.87
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 86677028
6-[2-(2,4-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270040
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine (CID 71275876) is 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine is Fc1cccc(Cl)c1-c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is KCVJAUZQEDFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c25-19-12-7-13-20(26)23(19)21-14-22(29-15-17-8-3-1-4-9-17)24(28-27-21)30-16-18-10-5-2-6-11-18/h1-14H,15-16H2.
What are the key properties of 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 420.87 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 71275876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).