2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile

C13H10FN3 — CID 116833132

IUPAC2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile
SMILESCc1cc(C(C#N)c2cccnn2)ccc1F
InChIInChI=1S/C13H10FN3/c1-9-7-10(4-5-12(9)14)11(8-15)13-3-2-6-16-17-13/h2-7,11H,1H3
InChIKeyVMORFIRLLVCLFH-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.58
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile

2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile (PubChem CID 116833132) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile
PubChem CID116833132
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile
SMILESCc1cc(C(C#N)c2cccnn2)ccc1F
InChIInChI=1S/C13H10FN3/c1-9-7-10(4-5-12(9)14)11(8-15)13-3-2-6-16-17-13/h2-7,11H,1H3
InChIKeyVMORFIRLLVCLFH-UHFFFAOYSA-N
XLogP2.58
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-pyridazin-3-ylacetonitrile
CID 116833163
2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833228
2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
CID 12887947
2-(5-bromo-2-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833214
2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833129
2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834529
2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile
CID 50878554
2-(4-fluoro-3-methylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834679
2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylacetonitrile
CID 116833207
2-(4-fluoro-3-methylphenyl)-4-methylpentanenitrile
CID 82077124
dimethylamino-(4-fluoro-3-methylphenyl)methanethiol
CID 116909362
2-(dimethylamino)-3-(4-fluoro-3-methylphenyl)butanenitrile
CID 82079823

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile (CID 116833132) is 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile is Cc1cc(C(C#N)c2cccnn2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile?
The InChIKey is VMORFIRLLVCLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-7-10(4-5-12(9)14)11(8-15)13-3-2-6-16-17-13/h2-7,11H,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile?
2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile is sourced from PubChem (CID 116833132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).