2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile

C19H12F2N2 — CID 131870387

IUPAC2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2ccccc2F)ccc1-c1ccccc1F
InChIInChI=1S/C19H12F2N2/c20-16-7-3-1-5-13(16)14-9-10-18(23-19(14)11-12-22)15-6-2-4-8-17(15)21/h1-10H,11H2
InChIKeyZZWVAZFCGAHJRD-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.76
Rot. Bonds3

About 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile

2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 131870387) has the molecular formula C19H12F2N2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
PubChem CID131870387
Molecular FormulaC19H12F2N2
Molecular Weight306.31 g/mol
Exact Mass306.10
IUPAC Name2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2ccccc2F)ccc1-c1ccccc1F
InChIInChI=1S/C19H12F2N2/c20-16-7-3-1-5-13(16)14-9-10-18(23-19(14)11-12-22)15-6-2-4-8-17(15)21/h1-10H,11H2
InChIKeyZZWVAZFCGAHJRD-UHFFFAOYSA-N
XLogP4.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-[2,5-bis(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870539
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870604
2-(2-fluorophenyl)quinoline
CID 11622684
3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
CID 131869939
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
CID 119005603
2,6-bis(2-fluorophenyl)-3-iodopyridine
CID 46313592
5-(2-fluorophenyl)pyrimidine-2-carbonitrile
CID 126755857
2-[3,6-bis[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094083

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile (CID 131870387) is 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile is N#CCc1nc(-c2ccccc2F)ccc1-c1ccccc1F.
What is the InChIKey of 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is ZZWVAZFCGAHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2/c20-16-7-3-1-5-13(16)14-9-10-18(23-19(14)11-12-22)15-6-2-4-8-17(15)21/h1-10H,11H2.
What are the key properties of 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile?
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 306.31 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 131870387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).