2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile

C17H12FN3O — CID 137463494

IUPAC2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(C3=NNC(=O)CC3)cc2)c1F
InChIInChI=1S/C17H12FN3O/c18-17-13(10-19)2-1-3-14(17)11-4-6-12(7-5-11)15-8-9-16(22)21-20-15/h1-7H,8-9H2,(H,21,22)
InChIKeyOUMHIYBTLQAWTB-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.98
Rot. Bonds2

About 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile

2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile (PubChem CID 137463494) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile
PubChem CID137463494
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(C3=NNC(=O)CC3)cc2)c1F
InChIInChI=1S/C17H12FN3O/c18-17-13(10-19)2-1-3-14(17)11-4-6-12(7-5-11)15-8-9-16(22)21-20-15/h1-7H,8-9H2,(H,21,22)
InChIKeyOUMHIYBTLQAWTB-UHFFFAOYSA-N
XLogP2.98
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614489
3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 119091390
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzonitrile
CID 162515176
3-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 141093047
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] acetate
CID 70432835
3-[4-methyl-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 67154935
3-[4-(2-chloroethoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 70044554
3-[4-(2-aminoethoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14441866
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
CID 53223141
3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile
CID 175711323

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile (CID 137463494) is 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(C3=NNC(=O)CC3)cc2)c1F.
What is the InChIKey of 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile?
The InChIKey is OUMHIYBTLQAWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-17-13(10-19)2-1-3-14(17)11-4-6-12(7-5-11)15-8-9-16(22)21-20-15/h1-7H,8-9H2,(H,21,22).
What are the key properties of 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile?
2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile has a molecular weight of 293.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 137463494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).