2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol

C16H11F2N3O — CID 137029433

IUPAC2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol
SMILESNc1nnc(-c2cc(F)cc(F)c2O)cc1-c1ccccc1
InChIInChI=1S/C16H11F2N3O/c17-10-6-12(15(22)13(18)7-10)14-8-11(16(19)21-20-14)9-4-2-1-3-5-9/h1-8,22H,(H2,19,21)
InChIKeyFRUZJKJAQZMJHP-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.38
Rot. Bonds2

About 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol

2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol (PubChem CID 137029433) has the molecular formula C16H11F2N3O and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol.

Molecular Properties

Compound Name2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol
PubChem CID137029433
Molecular FormulaC16H11F2N3O
Molecular Weight299.28 g/mol
Exact Mass299.09
IUPAC Name2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol
SMILESNc1nnc(-c2cc(F)cc(F)c2O)cc1-c1ccccc1
InChIInChI=1S/C16H11F2N3O/c17-10-6-12(15(22)13(18)7-10)14-8-11(16(19)21-20-14)9-4-2-1-3-5-9/h1-8,22H,(H2,19,21)
InChIKeyFRUZJKJAQZMJHP-UHFFFAOYSA-N
XLogP3.38
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
Smarca2/4-IN-2
CID 136145607
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
Phenol, 4-(6-amino-5-methyl-3-pyridazinyl)-, monohydrochloride
CID 135770315
US10308614, Example 189
CID 137029365
US10308614, Example 210
CID 137029376
US10308614, Example 213
CID 137029389
US10308614, Example 223
CID 137029397
US10308614, Example 216
CID 137029440

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol?
The IUPAC name of 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol (CID 137029433) is 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol.
What is the SMILES notation for 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol?
The canonical SMILES for 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol is Nc1nnc(-c2cc(F)cc(F)c2O)cc1-c1ccccc1.
What is the InChIKey of 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol?
The InChIKey is FRUZJKJAQZMJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c17-10-6-12(15(22)13(18)7-10)14-8-11(16(19)21-20-14)9-4-2-1-3-5-9/h1-8,22H,(H2,19,21).
What are the key properties of 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol?
2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol has a molecular weight of 299.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-phenylpyridazin-3-yl)-4,6-difluorophenol is sourced from PubChem (CID 137029433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).