3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine

C12H11FN2O — CID 139221077

IUPAC3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine
SMILESCc1ccccc1COc1ccc(F)nn1
InChIInChI=1S/C12H11FN2O/c1-9-4-2-3-5-10(9)8-16-12-7-6-11(13)14-15-12/h2-7H,8H2,1H3
InChIKeyBZJVUQRCPZOHAW-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.50
Rot. Bonds3

About 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine

3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine (PubChem CID 139221077) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine.

Molecular Properties

Compound Name3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine
PubChem CID139221077
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine
SMILESCc1ccccc1COc1ccc(F)nn1
InChIInChI=1S/C12H11FN2O/c1-9-4-2-3-5-10(9)8-16-12-7-6-11(13)14-15-12/h2-7H,8H2,1H3
InChIKeyBZJVUQRCPZOHAW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine?
The IUPAC name of 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine (CID 139221077) is 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine.
What is the SMILES notation for 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine?
The canonical SMILES for 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine is Cc1ccccc1COc1ccc(F)nn1.
What is the InChIKey of 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine?
The InChIKey is BZJVUQRCPZOHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-4-2-3-5-10(9)8-16-12-7-6-11(13)14-15-12/h2-7H,8H2,1H3.
What are the key properties of 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine?
3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine has a molecular weight of 218.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[(2-methylphenyl)methoxy]pyridazine is sourced from PubChem (CID 139221077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).