2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile

C13H8F2N2 — CID 131870263

IUPAC2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(F)c1-c1cccc(F)c1
InChIInChI=1S/C13H8F2N2/c14-11-3-1-2-10(8-11)12-9(4-6-16)5-7-17-13(12)15/h1-3,5,7-8H,4H2
InChIKeyUQZIFYABPIBLBB-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.09
Rot. Bonds2

About 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile

2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 131870263) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
PubChem CID131870263
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(F)c1-c1cccc(F)c1
InChIInChI=1S/C13H8F2N2/c14-11-3-1-2-10(8-11)12-9(4-6-16)5-7-17-13(12)15/h1-3,5,7-8H,4H2
InChIKeyUQZIFYABPIBLBB-UHFFFAOYSA-N
XLogP3.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-fluoro-3-(3-fluorophenyl)-4-iodopyridine
CID 46312521
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119009018
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910
3-[4-(3-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901153
2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
CID 46313415
2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 131869822

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile (CID 131870263) is 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(F)c1-c1cccc(F)c1.
What is the InChIKey of 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is UQZIFYABPIBLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-11-3-1-2-10(8-11)12-9(4-6-16)5-7-17-13(12)15/h1-3,5,7-8H,4H2.
What are the key properties of 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile has a molecular weight of 230.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 131870263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).