5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile

C18H10ClFN2 — CID 90094726

IUPAC5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2cccnc2-c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C18H10ClFN2/c19-15-4-1-3-13(10-15)18-16(5-2-8-22-18)12-6-7-17(20)14(9-12)11-21/h1-10H
InChIKeyNFNWHVSZJHGNEA-UHFFFAOYSA-N
MW308.74 g/mol
LogP5.08
Rot. Bonds2

About 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile

5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile (PubChem CID 90094726) has the molecular formula C18H10ClFN2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile
PubChem CID90094726
Molecular FormulaC18H10ClFN2
Molecular Weight308.74 g/mol
Exact Mass308.05
IUPAC Name5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2cccnc2-c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C18H10ClFN2/c19-15-4-1-3-13(10-15)18-16(5-2-8-22-18)12-6-7-17(20)14(9-12)11-21/h1-10H
InChIKeyNFNWHVSZJHGNEA-UHFFFAOYSA-N
XLogP5.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.74
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile (CID 90094726) is 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile is N#Cc1cc(-c2cccnc2-c2cccc(Cl)c2)ccc1F.
What is the InChIKey of 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile?
The InChIKey is NFNWHVSZJHGNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2/c19-15-4-1-3-13(10-15)18-16(5-2-8-22-18)12-6-7-17(20)14(9-12)11-21/h1-10H.
What are the key properties of 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile?
5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile has a molecular weight of 308.74 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)-3-pyridinyl]-2-fluorobenzonitrile is sourced from PubChem (CID 90094726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).