3-[(4-fluorophenyl)methyl]-6-methoxypyridazine

C12H11FN2O — CID 45276200

IUPAC3-[(4-fluorophenyl)methyl]-6-methoxypyridazine
SMILESCOc1ccc(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H11FN2O/c1-16-12-7-6-11(14-15-12)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyWQDYMBMHNACJSX-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.22
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine

3-[(4-fluorophenyl)methyl]-6-methoxypyridazine (PubChem CID 45276200) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-methoxypyridazine
PubChem CID45276200
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-[(4-fluorophenyl)methyl]-6-methoxypyridazine
SMILESCOc1ccc(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H11FN2O/c1-16-12-7-6-11(14-15-12)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyWQDYMBMHNACJSX-UHFFFAOYSA-N
XLogP2.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine (CID 45276200) is 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine is COc1ccc(Cc2ccc(F)cc2)nn1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine?
The InChIKey is WQDYMBMHNACJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-16-12-7-6-11(14-15-12)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine?
3-[(4-fluorophenyl)methyl]-6-methoxypyridazine has a molecular weight of 218.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-methoxypyridazine is sourced from PubChem (CID 45276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).