2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile

C13H8F2N2 — CID 131870604

IUPAC2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2ccccc2F)ncc1F
InChIInChI=1S/C13H8F2N2/c14-11-4-2-1-3-10(11)13-7-9(5-6-16)12(15)8-17-13/h1-4,7-8H,5H2
InChIKeyZMEGRZSVPLFBKC-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.09
Rot. Bonds2

About 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile

2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 131870604) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
PubChem CID131870604
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2ccccc2F)ncc1F
InChIInChI=1S/C13H8F2N2/c14-11-4-2-1-3-10(11)13-7-9(5-6-16)12(15)8-17-13/h1-4,7-8H,5H2
InChIKeyZMEGRZSVPLFBKC-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

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Related Compounds

2-[2,5-bis(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870539
2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
[5-ethoxy-2-(2-fluorophenyl)-4-pyridinyl]methanamine
CID 132588900
[6-(2-fluorophenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 154591931
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870387
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
5-(2-fluorophenyl)pyrimidine-2-carbonitrile
CID 126755857
5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479332
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile (CID 131870604) is 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile is N#CCc1cc(-c2ccccc2F)ncc1F.
What is the InChIKey of 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is ZMEGRZSVPLFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-11-4-2-1-3-10(11)13-7-9(5-6-16)12(15)8-17-13/h1-4,7-8H,5H2.
What are the key properties of 2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile?
2-[5-fluoro-2-(2-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-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 131870604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).