2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine

C33H26F2N6O2 — CID 161202830

IUPAC2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine
SMILESCOc1c(F)cccc1-c1cc(-c2ccccc2)c(N)nn1.Nc1nnc(-c2cccc(F)c2O)cc1-c1ccccc1
InChIInChI=1S/C17H14FN3O.C16H12FN3O/c1-22-16-12(8-5-9-14(16)18)15-10-13(17(19)21-20-15)11-6-3-2-4-7-11;17-13-8-4-7-11(15(13)21)14-9-12(16(18)20-19-14)10-5-2-1-3-6-10/h2-10H,1H3,(H2,19,21);1-9,21H,(H2,18,20)
InChIKeyUVFBQGLYGACMRU-UHFFFAOYSA-N
MW576.61 g/mol
LogP6.78
Rot. Bonds5

About 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine

2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine (PubChem CID 161202830) has the molecular formula C33H26F2N6O2 and a molecular weight of 576.61 g/mol. Its IUPAC name is 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine.

Molecular Properties

Compound Name2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine
PubChem CID161202830
Molecular FormulaC33H26F2N6O2
Molecular Weight576.61 g/mol
Exact Mass576.21
IUPAC Name2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine
SMILESCOc1c(F)cccc1-c1cc(-c2ccccc2)c(N)nn1.Nc1nnc(-c2cccc(F)c2O)cc1-c1ccccc1
InChIInChI=1S/C17H14FN3O.C16H12FN3O/c1-22-16-12(8-5-9-14(16)18)15-10-13(17(19)21-20-15)11-6-3-2-4-7-11;17-13-8-4-7-11(15(13)21)14-9-12(16(18)20-19-14)10-5-2-1-3-6-10/h2-10H,1H3,(H2,19,21);1-9,21H,(H2,18,20)
InChIKeyUVFBQGLYGACMRU-UHFFFAOYSA-N
XLogP6.78
TPSA133.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine
CID 134383235
2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine
CID 158943965
3-fluoro-2-iodo-6-methoxy-5-phenylphenol
CID 87824112
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052506
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-methoxy-3-pyridin-2-ylaniline
CID 171626476
2-(4-aminophenyl)-6-fluorophenol
CID 171109419
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
2-[6-amino-5-[[(Z)-but-2-enyl]-(2-methylpropyl)amino]pyridazin-3-yl]-6-fluorophenol
CID 174367164
tert-butyl 2-[4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetate
CID 161322481

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine?
The IUPAC name of 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine (CID 161202830) is 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine.
What is the SMILES notation for 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine?
The canonical SMILES for 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine is COc1c(F)cccc1-c1cc(-c2ccccc2)c(N)nn1.Nc1nnc(-c2cccc(F)c2O)cc1-c1ccccc1.
What is the InChIKey of 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine?
The InChIKey is UVFBQGLYGACMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O.C16H12FN3O/c1-22-16-12(8-5-9-14(16)18)15-10-13(17(19)21-20-15)11-6-3-2-4-7-11;17-13-8-4-7-11(15(13)21)14-9-12(16(18)20-19-14)10-5-2-1-3-6-10/h2-10H,1H3,(H2,19,21);1-9,21H,(H2,18,20).
What are the key properties of 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine?
2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine has a molecular weight of 576.61 g/mol, XLogP of 6.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine is sourced from PubChem (CID 161202830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).