4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile

C12H7ClFN3O — CID 163289174

IUPAC4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile
SMILESCc1cccc(F)c1-n1nc(C#N)c(Cl)cc1=O
InChIInChI=1S/C12H7ClFN3O/c1-7-3-2-4-9(14)12(7)17-11(18)5-8(13)10(6-15)16-17/h2-5H,1H3
InChIKeyZBSDRVIFOQCJEJ-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.21
Rot. Bonds1

About 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile

4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile (PubChem CID 163289174) has the molecular formula C12H7ClFN3O and a molecular weight of 263.66 g/mol. Its IUPAC name is 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile
PubChem CID163289174
Molecular FormulaC12H7ClFN3O
Molecular Weight263.66 g/mol
Exact Mass263.03
IUPAC Name4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile
SMILESCc1cccc(F)c1-n1nc(C#N)c(Cl)cc1=O
InChIInChI=1S/C12H7ClFN3O/c1-7-3-2-4-9(14)12(7)17-11(18)5-8(13)10(6-15)16-17/h2-5H,1H3
InChIKeyZBSDRVIFOQCJEJ-UHFFFAOYSA-N
XLogP2.21
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Tert-butyl)phenyl]-4-chloro-6-oxo-1,6-dihydro-3-pyridazinecarbonitrile
CID 2766929
4-Chloro-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carbonitrile
CID 1473632
4,5-Dichloro-2-(o-tolyl)pyridazin-3(2H)-one
CID 2986466
Trifluoro-m-tolyl-3-(2h) pyridazinone
CID 129713653
4,5-Dichloro-2-(2-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
CID 21485857
2,5-Difluoro-4-(3-methyl-6-oxopyridazin-1-yl)benzonitrile
CID 22235223
4-Methyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl chloride
CID 141494667
Methyl 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 163360959
3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360966
3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360975
3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163361001
Methyl 4-chloro-1-(2-fluoro-6-propan-2-ylphenyl)-6-oxopyridazine-3-carboxylate
CID 163361002

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile?
The IUPAC name of 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile (CID 163289174) is 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile.
What is the SMILES notation for 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile?
The canonical SMILES for 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile is Cc1cccc(F)c1-n1nc(C#N)c(Cl)cc1=O.
What is the InChIKey of 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile?
The InChIKey is ZBSDRVIFOQCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c1-7-3-2-4-9(14)12(7)17-11(18)5-8(13)10(6-15)16-17/h2-5H,1H3.
What are the key properties of 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile?
4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile has a molecular weight of 263.66 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile is sourced from PubChem (CID 163289174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).