3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine

C13H12ClFN2O2 — CID 174438769

IUPAC3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine
SMILESCOCOc1cnnc(-c2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C13H12ClFN2O2/c1-8-12(19-7-18-2)6-16-17-13(8)9-3-4-11(15)10(14)5-9/h3-6H,7H2,1-2H3
InChIKeyRYYSCROOYOCPAQ-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.23
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine

3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine (PubChem CID 174438769) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine
PubChem CID174438769
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine
SMILESCOCOc1cnnc(-c2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C13H12ClFN2O2/c1-8-12(19-7-18-2)6-16-17-13(8)9-3-4-11(15)10(14)5-9/h3-6H,7H2,1-2H3
InChIKeyRYYSCROOYOCPAQ-UHFFFAOYSA-N
XLogP3.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115504536
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
5-[4-bromo-3-(methoxymethoxy)phenyl]-3-methylpyridazine
CID 167504004
4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324784
[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205926
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
2-[3-(3-chloro-4-fluorophenyl)-4,5-dimethylpyrazol-1-yl]butan-1-ol
CID 123387208
3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 22240125

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine (CID 174438769) is 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine is COCOc1cnnc(-c2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine?
The InChIKey is RYYSCROOYOCPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-8-12(19-7-18-2)6-16-17-13(8)9-3-4-11(15)10(14)5-9/h3-6H,7H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine?
3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine has a molecular weight of 282.70 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine is sourced from PubChem (CID 174438769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).