4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile

C12H6Cl2N2O — CID 2746711

IUPAC4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C12H6Cl2N2O/c13-10-6-16-7-11(14)12(10)17-9-3-1-8(5-15)2-4-9/h1-4,6-7H
InChIKeyXZBYPRYRGYTDEB-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.05
Rot. Bonds2

About 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile

4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile (PubChem CID 2746711) has the molecular formula C12H6Cl2N2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile
PubChem CID2746711
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.10 g/mol
Exact Mass263.99
IUPAC Name4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C12H6Cl2N2O/c13-10-6-16-7-11(14)12(10)17-9-3-1-8(5-15)2-4-9/h1-4,6-7H
InChIKeyXZBYPRYRGYTDEB-UHFFFAOYSA-N
XLogP4.05
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1470949
CID 1470949
CID 1488716
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CID 5704385
CID 5704385
CID 44449718
CID 44449718
CID 44453016
CID 44453016
CID 18525832
CID 18525832
CID 1484358
CID 1484358
CID 514829
CID 514829
CID 2773895
CID 2773895
CID 514826
CID 514826
CID 514831
CID 514831
CID 514885
CID 514885

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile (CID 2746711) is 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile is N#Cc1ccc(Oc2c(Cl)cncc2Cl)cc1.
What is the InChIKey of 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile?
The InChIKey is XZBYPRYRGYTDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O/c13-10-6-16-7-11(14)12(10)17-9-3-1-8(5-15)2-4-9/h1-4,6-7H.
What are the key properties of 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile?
4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile has a molecular weight of 265.10 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 2746711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).