5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile

C18H10F2N2 — CID 46313539

IUPAC5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2cccc(F)c2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C18H10F2N2/c19-15-5-1-3-13(8-15)17-7-12(10-21)11-22-18(17)14-4-2-6-16(20)9-14/h1-9,11H
InChIKeyJPWDVXHQXVQDLO-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.57
Rot. Bonds2

About 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile

5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 46313539) has the molecular formula C18H10F2N2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
PubChem CID46313539
Molecular FormulaC18H10F2N2
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2cccc(F)c2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C18H10F2N2/c19-15-5-1-3-13(8-15)17-7-12(10-21)11-22-18(17)14-4-2-6-16(20)9-14/h1-9,11H
InChIKeyJPWDVXHQXVQDLO-UHFFFAOYSA-N
XLogP4.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
4-amino-3-(3-fluorophenyl)benzonitrile
CID 46314165
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
3-fluoro-5-(3-fluorophenyl)benzonitrile
CID 46312350
3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
CID 162731731
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
CID 133095960
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
3-fluorobenzonitrile;hydrochloride
CID 140590350
6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 90095249
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
ethane;3-fluorobenzonitrile
CID 143604554

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile (CID 46313539) is 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile is N#Cc1cnc(-c2cccc(F)c2)c(-c2cccc(F)c2)c1.
What is the InChIKey of 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is JPWDVXHQXVQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2/c19-15-5-1-3-13(8-15)17-7-12(10-21)11-22-18(17)14-4-2-6-16(20)9-14/h1-9,11H.
What are the key properties of 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 292.29 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 46313539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).