4-fluoro-2-pyridin-3-ylbenzonitrile

C12H7FN2 — CID 46315558

IUPAC4-fluoro-2-pyridin-3-ylbenzonitrile
SMILESN#Cc1ccc(F)cc1-c1cccnc1
InChIInChI=1S/C12H7FN2/c13-11-4-3-9(7-14)12(6-11)10-2-1-5-15-8-10/h1-6,8H
InChIKeyZQLNQZNHQWGKSN-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.76
Rot. Bonds1

About 4-fluoro-2-pyridin-3-ylbenzonitrile

4-fluoro-2-pyridin-3-ylbenzonitrile (PubChem CID 46315558) has the molecular formula C12H7FN2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-fluoro-2-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name4-fluoro-2-pyridin-3-ylbenzonitrile
PubChem CID46315558
Molecular FormulaC12H7FN2
Molecular Weight198.20 g/mol
Exact Mass198.06
IUPAC Name4-fluoro-2-pyridin-3-ylbenzonitrile
SMILESN#Cc1ccc(F)cc1-c1cccnc1
InChIInChI=1S/C12H7FN2/c13-11-4-3-9(7-14)12(6-11)10-2-1-5-15-8-10/h1-6,8H
InChIKeyZQLNQZNHQWGKSN-UHFFFAOYSA-N
XLogP2.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pyridin-3-ylbenzonitrile?
The IUPAC name of 4-fluoro-2-pyridin-3-ylbenzonitrile (CID 46315558) is 4-fluoro-2-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 4-fluoro-2-pyridin-3-ylbenzonitrile?
The canonical SMILES for 4-fluoro-2-pyridin-3-ylbenzonitrile is N#Cc1ccc(F)cc1-c1cccnc1.
What is the InChIKey of 4-fluoro-2-pyridin-3-ylbenzonitrile?
The InChIKey is ZQLNQZNHQWGKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2/c13-11-4-3-9(7-14)12(6-11)10-2-1-5-15-8-10/h1-6,8H.
What are the key properties of 4-fluoro-2-pyridin-3-ylbenzonitrile?
4-fluoro-2-pyridin-3-ylbenzonitrile has a molecular weight of 198.20 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 46315558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).