5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol

C16H12F2N4O — CID 155041705

IUPAC5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cc(F)nc(F)c3)cc2O)nn1
InChIInChI=1S/C16H12F2N4O/c1-19-16-5-4-12(21-22-16)11-3-2-9(6-13(11)23)10-7-14(17)20-15(18)8-10/h2-8,23H,1H3,(H,19,22)
InChIKeySFKAZIZODUIRRP-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.23
Rot. Bonds3

About 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol

5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol (PubChem CID 155041705) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
PubChem CID155041705
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cc(F)nc(F)c3)cc2O)nn1
InChIInChI=1S/C16H12F2N4O/c1-19-16-5-4-12(21-22-16)11-3-2-9(6-13(11)23)10-7-14(17)20-15(18)8-10/h2-8,23H,1H3,(H,19,22)
InChIKeySFKAZIZODUIRRP-UHFFFAOYSA-N
XLogP3.23
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The IUPAC name of 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol (CID 155041705) is 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol is CNc1ccc(-c2ccc(-c3cc(F)nc(F)c3)cc2O)nn1.
What is the InChIKey of 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The InChIKey is SFKAZIZODUIRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c1-19-16-5-4-12(21-22-16)11-3-2-9(6-13(11)23)10-7-14(17)20-15(18)8-10/h2-8,23H,1H3,(H,19,22).
What are the key properties of 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol has a molecular weight of 314.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol is sourced from PubChem (CID 155041705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).