2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile

C18H10F2N2 — CID 46313536

IUPAC2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccc(F)c2)nc1-c1cccc(F)c1
InChIInChI=1S/C18H10F2N2/c19-15-5-1-3-12(9-15)17-8-7-14(11-21)18(22-17)13-4-2-6-16(20)10-13/h1-10H
InChIKeyXJNAHZKILSHKOV-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.57
Rot. Bonds2

About 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile

2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 46313536) has the molecular formula C18H10F2N2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
PubChem CID46313536
Molecular FormulaC18H10F2N2
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccc(F)c2)nc1-c1cccc(F)c1
InChIInChI=1S/C18H10F2N2/c19-15-5-1-3-12(9-15)17-8-7-14(11-21)18(22-17)13-4-2-6-16(20)10-13/h1-10H
InChIKeyXJNAHZKILSHKOV-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

6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile
CID 22260849
2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094772
6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile
CID 165488418
2-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 114834305
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
CID 131869560
5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313539
5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684040
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 1004309
2-bromo-5-(3-fluorophenyl)benzonitrile
CID 162689899
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile (CID 46313536) is 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2cccc(F)c2)nc1-c1cccc(F)c1.
What is the InChIKey of 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is XJNAHZKILSHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2/c19-15-5-1-3-12(9-15)17-8-7-14(11-21)18(22-17)13-4-2-6-16(20)10-13/h1-10H.
What are the key properties of 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile?
2,6-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 2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 46313536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).