3-fluoro-4-pyridin-3-yloxybenzonitrile

C12H7FN2O — CID 43657508

IUPAC3-fluoro-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C12H7FN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H
InChIKeySCFIXHPKRYFVOU-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.88
Rot. Bonds2

About 3-fluoro-4-pyridin-3-yloxybenzonitrile

3-fluoro-4-pyridin-3-yloxybenzonitrile (PubChem CID 43657508) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-fluoro-4-pyridin-3-yloxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-pyridin-3-yloxybenzonitrile
PubChem CID43657508
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name3-fluoro-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C12H7FN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H
InChIKeySCFIXHPKRYFVOU-UHFFFAOYSA-N
XLogP2.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-pyridin-3-yloxybenzonitrile?
The IUPAC name of 3-fluoro-4-pyridin-3-yloxybenzonitrile (CID 43657508) is 3-fluoro-4-pyridin-3-yloxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-pyridin-3-yloxybenzonitrile?
The canonical SMILES for 3-fluoro-4-pyridin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyridin-3-yloxybenzonitrile?
The InChIKey is SCFIXHPKRYFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8H.
What are the key properties of 3-fluoro-4-pyridin-3-yloxybenzonitrile?
3-fluoro-4-pyridin-3-yloxybenzonitrile has a molecular weight of 214.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-pyridin-3-yloxybenzonitrile is sourced from PubChem (CID 43657508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).