4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol

C15H11FN4O2 — CID 175852495

IUPAC4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol
SMILESCOc1cc(-c2cc(O)c(-c3cccnn3)cc2F)cnn1
InChIInChI=1S/C15H11FN4O2/c1-22-15-5-9(8-18-20-15)10-7-14(21)11(6-12(10)16)13-3-2-4-17-19-13/h2-8,21H,1H3
InChIKeyAGWACOMVZQQPGY-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.45
Rot. Bonds3

About 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol

4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol (PubChem CID 175852495) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol.

Molecular Properties

Compound Name4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol
PubChem CID175852495
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol
SMILESCOc1cc(-c2cc(O)c(-c3cccnn3)cc2F)cnn1
InChIInChI=1S/C15H11FN4O2/c1-22-15-5-9(8-18-20-15)10-7-14(21)11(6-12(10)16)13-3-2-4-17-19-13/h2-8,21H,1H3
InChIKeyAGWACOMVZQQPGY-UHFFFAOYSA-N
XLogP2.45
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-(6-methoxypyridazin-4-yl)phenol
CID 167504130
4-fluoro-5-(6-methoxypyridazin-4-yl)-2-[6-[(3S)-3-[(1-methylcyclopropyl)amino]pyrrolidin-1-yl]pyridazin-3-yl]phenol
CID 167503861
2-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-(2-fluoroethyl)amino]pyridazin-3-yl]-4-fluoro-5-(6-methoxypyridazin-4-yl)phenol
CID 154988088
2-[5-[cyclopropyl-[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]amino]pyrazin-2-yl]-4-fluoro-5-(6-methoxypyridazin-4-yl)phenol
CID 167368590
5-(6-methoxypyridazin-4-yl)-2-methylphenol
CID 155407230
5-[2-fluoro-4-iodo-5-(methoxymethoxy)phenyl]-3-methoxypyridazine
CID 167503841
5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol
CID 155041644
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
3-methoxy-4-pyridazin-3-ylpyridin-2-amine
CID 68902457
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
CID 145282408
2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine
CID 175852500

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol?
The IUPAC name of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol (CID 175852495) is 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol.
What is the SMILES notation for 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol?
The canonical SMILES for 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol is COc1cc(-c2cc(O)c(-c3cccnn3)cc2F)cnn1.
What is the InChIKey of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol?
The InChIKey is AGWACOMVZQQPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c1-22-15-5-9(8-18-20-15)10-7-14(21)11(6-12(10)16)13-3-2-4-17-19-13/h2-8,21H,1H3.
What are the key properties of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol?
4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol has a molecular weight of 298.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-pyridazin-3-ylphenol is sourced from PubChem (CID 175852495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).