5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine

C13H12FIN2O3 — CID 167503841

IUPAC5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine
SMILESCOCOc1cc(-c2cnnc(OC)c2)c(F)cc1I
InChIInChI=1S/C13H12FIN2O3/c1-18-7-20-12-4-9(10(14)5-11(12)15)8-3-13(19-2)17-16-6-8/h3-6H,7H2,1-2H3
InChIKeyXPFCUUNISNZEIJ-UHFFFAOYSA-N
MW390.15 g/mol
LogP2.88
Rot. Bonds5

About 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine

5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine (PubChem CID 167503841) has the molecular formula C13H12FIN2O3 and a molecular weight of 390.15 g/mol. Its IUPAC name is 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine.

Molecular Properties

Compound Name5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine
PubChem CID167503841
Molecular FormulaC13H12FIN2O3
Molecular Weight390.15 g/mol
Exact Mass389.99
IUPAC Name5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine
SMILESCOCOc1cc(-c2cnnc(OC)c2)c(F)cc1I
InChIInChI=1S/C13H12FIN2O3/c1-18-7-20-12-4-9(10(14)5-11(12)15)8-3-13(19-2)17-16-6-8/h3-6H,7H2,1-2H3
InChIKeyXPFCUUNISNZEIJ-UHFFFAOYSA-N
XLogP2.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methoxy-5-(methoxymethoxy)pyridine
CID 12027785
4-fluoro-3-(6-methoxypyridazin-4-yl)phenol
CID 167504130
N-cyclobutyl-1-[6-[5-fluoro-2-(methoxymethoxy)-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine
CID 175852627
4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol
CID 175852495
methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
CID 141498075
2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol
CID 159003485
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
3-(3-chloro-4-fluorophenyl)-5-(methoxymethoxy)-4-methylpyridazine
CID 174438769
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
5-[4-bromo-3-(methoxymethoxy)phenyl]-3-methylpyridazine
CID 167504004
1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873
2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine
CID 175852500

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine?
The IUPAC name of 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine (CID 167503841) is 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine.
What is the SMILES notation for 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine?
The canonical SMILES for 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine is COCOc1cc(-c2cnnc(OC)c2)c(F)cc1I.
What is the InChIKey of 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine?
The InChIKey is XPFCUUNISNZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O3/c1-18-7-20-12-4-9(10(14)5-11(12)15)8-3-13(19-2)17-16-6-8/h3-6H,7H2,1-2H3.
What are the key properties of 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine?
5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine has a molecular weight of 390.15 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine is sourced from PubChem (CID 167503841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).