6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine

C11H8ClF2N3O — CID 43235448

IUPAC6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine
SMILESFC(F)Oc1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H8ClF2N3O/c12-9-5-6-10(17-16-9)15-7-1-3-8(4-2-7)18-11(13)14/h1-6,11H,(H,15,17)
InChIKeyUNTORCQJRIYSKR-UHFFFAOYSA-N
MW271.65 g/mol
LogP3.47
Rot. Bonds4

About 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine

6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine (PubChem CID 43235448) has the molecular formula C11H8ClF2N3O and a molecular weight of 271.65 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine
PubChem CID43235448
Molecular FormulaC11H8ClF2N3O
Molecular Weight271.65 g/mol
Exact Mass271.03
IUPAC Name6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine
SMILESFC(F)Oc1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H8ClF2N3O/c12-9-5-6-10(17-16-9)15-7-1-3-8(4-2-7)18-11(13)14/h1-6,11H,(H,15,17)
InChIKeyUNTORCQJRIYSKR-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine (CID 43235448) is 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine is FC(F)Oc1ccc(Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine?
The InChIKey is UNTORCQJRIYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O/c12-9-5-6-10(17-16-9)15-7-1-3-8(4-2-7)18-11(13)14/h1-6,11H,(H,15,17).
What are the key properties of 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine?
6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine has a molecular weight of 271.65 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethoxy)phenyl]pyridazin-3-amine is sourced from PubChem (CID 43235448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).