3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile

C18H11ClN2O2 — CID 57395661

IUPAC3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C18H11ClN2O2/c19-14-3-1-4-15(10-14)22-18-9-13(11-20)6-7-17(18)23-16-5-2-8-21-12-16/h1-10,12H
InChIKeyNHGCBSOMBSFEIW-UHFFFAOYSA-N
MW322.75 g/mol
LogP5.19
Rot. Bonds4

About 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile

3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile (PubChem CID 57395661) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile
PubChem CID57395661
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnc2)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C18H11ClN2O2/c19-14-3-1-4-15(10-14)22-18-9-13(11-20)6-7-17(18)23-16-5-2-8-21-12-16/h1-10,12H
InChIKeyNHGCBSOMBSFEIW-UHFFFAOYSA-N
XLogP5.19
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.75
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile?
The IUPAC name of 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile (CID 57395661) is 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile.
What is the SMILES notation for 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile?
The canonical SMILES for 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnc2)c(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile?
The InChIKey is NHGCBSOMBSFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-14-3-1-4-15(10-14)22-18-9-13(11-20)6-7-17(18)23-16-5-2-8-21-12-16/h1-10,12H.
What are the key properties of 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile?
3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile has a molecular weight of 322.75 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-4-pyridin-3-yloxybenzonitrile is sourced from PubChem (CID 57395661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).