3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine

C12H10ClFN2O — CID 104514241

IUPAC3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine
SMILESFc1ccccc1COCc1ccc(Cl)nn1
InChIInChI=1S/C12H10ClFN2O/c13-12-6-5-10(15-16-12)8-17-7-9-3-1-2-4-11(9)14/h1-6H,7-8H2
InChIKeyDUPBXBXWJBMLDH-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.99
Rot. Bonds4

About 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine

3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine (PubChem CID 104514241) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine
PubChem CID104514241
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine
SMILESFc1ccccc1COCc1ccc(Cl)nn1
InChIInChI=1S/C12H10ClFN2O/c13-12-6-5-10(15-16-12)8-17-7-9-3-1-2-4-11(9)14/h1-6H,7-8H2
InChIKeyDUPBXBXWJBMLDH-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine (CID 104514241) is 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine is Fc1ccccc1COCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine?
The InChIKey is DUPBXBXWJBMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-12-6-5-10(15-16-12)8-17-7-9-3-1-2-4-11(9)14/h1-6H,7-8H2.
What are the key properties of 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine?
3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine has a molecular weight of 252.68 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-fluorophenyl)methoxymethyl]pyridazine is sourced from PubChem (CID 104514241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).