2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile

C13H9F2N3 — CID 50878554

IUPAC2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile
SMILESCc1ccc(C(C#N)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H9F2N3/c1-8-2-5-13(18-17-8)10(7-16)9-3-4-11(14)12(15)6-9/h2-6,10H,1H3
InChIKeySYZJUQJTGLFGMT-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.72
Rot. Bonds2

About 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile

2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile (PubChem CID 50878554) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile
PubChem CID50878554
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile
SMILESCc1ccc(C(C#N)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H9F2N3/c1-8-2-5-13(18-17-8)10(7-16)9-3-4-11(14)12(15)6-9/h2-6,10H,1H3
InChIKeySYZJUQJTGLFGMT-UHFFFAOYSA-N
XLogP2.72
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.72
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-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833132
2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane
CID 142087647
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149
2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 18463714
2-(4-fluoro-3-methylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834679
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile
CID 6409757
2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834529
2-(3-chloro-4-fluorophenyl)-2-pyrimidin-4-ylacetonitrile
CID 116833289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile (CID 50878554) is 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile is Cc1ccc(C(C#N)c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile?
The InChIKey is SYZJUQJTGLFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c1-8-2-5-13(18-17-8)10(7-16)9-3-4-11(14)12(15)6-9/h2-6,10H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile?
2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile has a molecular weight of 245.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile is sourced from PubChem (CID 50878554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).