2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile

C19H12F2N2 — CID 131869856

IUPAC2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2ccc(F)cc2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H12F2N2/c20-15-5-1-13(2-6-15)17-9-10-18(23-19(17)11-12-22)14-3-7-16(21)8-4-14/h1-10H,11H2
InChIKeyCFFROKYHKAEHOJ-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.76
Rot. Bonds3

About 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile

2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 131869856) has the molecular formula C19H12F2N2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
PubChem CID131869856
Molecular FormulaC19H12F2N2
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2ccc(F)cc2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H12F2N2/c20-15-5-1-13(2-6-15)17-9-10-18(23-19(17)11-12-22)14-3-7-16(21)8-4-14/h1-10H,11H2
InChIKeyCFFROKYHKAEHOJ-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 ≤ 500306.32
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
2-[3,6-bis[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094083
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870387
[6-(4-fluorophenyl)-2-(hydroxymethyl)-3-pyridinyl]methanol
CID 122460974
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 131870389
2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001916
3,6-bis(4-fluorophenyl)-N,N-dimethylpyridin-2-amine
CID 71658278
2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134622062
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile (CID 131869856) is 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile is N#CCc1nc(-c2ccc(F)cc2)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is CFFROKYHKAEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2/c20-15-5-1-13(2-6-15)17-9-10-18(23-19(17)11-12-22)14-3-7-16(21)8-4-14/h1-10H,11H2.
What are the key properties of 2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile?
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 306.32 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(4-fluorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 131869856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).