(3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone

C11H5Cl2FN2O — CID 14143072

IUPAC(3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5Cl2FN2O/c12-9-5-8(11(13)16-15-9)10(17)6-1-3-7(14)4-2-6/h1-5H
InChIKeyAWXRBDKPTAGYJI-UHFFFAOYSA-N
MW271.08 g/mol
LogP3.15
Rot. Bonds2

About (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone

(3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone (PubChem CID 14143072) has the molecular formula C11H5Cl2FN2O and a molecular weight of 271.08 g/mol. Its IUPAC name is (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone
PubChem CID14143072
Molecular FormulaC11H5Cl2FN2O
Molecular Weight271.08 g/mol
Exact Mass269.98
IUPAC Name(3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H5Cl2FN2O/c12-9-5-8(11(13)16-15-9)10(17)6-1-3-7(14)4-2-6/h1-5H
InChIKeyAWXRBDKPTAGYJI-UHFFFAOYSA-N
XLogP3.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone (CID 14143072) is (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cc(Cl)nnc1Cl.
What is the InChIKey of (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is AWXRBDKPTAGYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN2O/c12-9-5-8(11(13)16-15-9)10(17)6-1-3-7(14)4-2-6/h1-5H.
What are the key properties of (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone?
(3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 271.08 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloropyridazin-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 14143072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).