2,6-difluoro-3-pyridin-3-ylbenzonitrile

C12H6F2N2 — CID 58731401

IUPAC2,6-difluoro-3-pyridin-3-ylbenzonitrile
SMILESN#Cc1c(F)ccc(-c2cccnc2)c1F
InChIInChI=1S/C12H6F2N2/c13-11-4-3-9(12(14)10(11)6-15)8-2-1-5-16-7-8/h1-5,7H
InChIKeyXPONUWKDUNQYQF-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.90
Rot. Bonds1

About 2,6-difluoro-3-pyridin-3-ylbenzonitrile

2,6-difluoro-3-pyridin-3-ylbenzonitrile (PubChem CID 58731401) has the molecular formula C12H6F2N2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2,6-difluoro-3-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name2,6-difluoro-3-pyridin-3-ylbenzonitrile
PubChem CID58731401
Molecular FormulaC12H6F2N2
Molecular Weight216.19 g/mol
Exact Mass216.05
IUPAC Name2,6-difluoro-3-pyridin-3-ylbenzonitrile
SMILESN#Cc1c(F)ccc(-c2cccnc2)c1F
InChIInChI=1S/C12H6F2N2/c13-11-4-3-9(12(14)10(11)6-15)8-2-1-5-16-7-8/h1-5,7H
InChIKeyXPONUWKDUNQYQF-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-pyridin-3-ylbenzonitrile?
The IUPAC name of 2,6-difluoro-3-pyridin-3-ylbenzonitrile (CID 58731401) is 2,6-difluoro-3-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 2,6-difluoro-3-pyridin-3-ylbenzonitrile?
The canonical SMILES for 2,6-difluoro-3-pyridin-3-ylbenzonitrile is N#Cc1c(F)ccc(-c2cccnc2)c1F.
What is the InChIKey of 2,6-difluoro-3-pyridin-3-ylbenzonitrile?
The InChIKey is XPONUWKDUNQYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2/c13-11-4-3-9(12(14)10(11)6-15)8-2-1-5-16-7-8/h1-5,7H.
What are the key properties of 2,6-difluoro-3-pyridin-3-ylbenzonitrile?
2,6-difluoro-3-pyridin-3-ylbenzonitrile has a molecular weight of 216.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 58731401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).