5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile

C12H6Cl2N2O — CID 64602337

IUPAC5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6Cl2N2O/c13-9-1-2-12(8(3-9)5-15)17-11-4-10(14)6-16-7-11/h1-4,6-7H
InChIKeyGFEBSKTXCOYHQI-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.05
Rot. Bonds2

About 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile

5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile (PubChem CID 64602337) has the molecular formula C12H6Cl2N2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
PubChem CID64602337
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.10 g/mol
Exact Mass263.99
IUPAC Name5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6Cl2N2O/c13-9-1-2-12(8(3-9)5-15)17-11-4-10(14)6-16-7-11/h1-4,6-7H
InChIKeyGFEBSKTXCOYHQI-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

2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
CID 64602529
2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
CID 22148825
4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 114902499
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
CID 114844935
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
CID 64602527
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile (CID 64602337) is 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile is N#Cc1cc(Cl)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
The InChIKey is GFEBSKTXCOYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O/c13-9-1-2-12(8(3-9)5-15)17-11-4-10(14)6-16-7-11/h1-4,6-7H.
What are the key properties of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
5-chloro-2-[(5-chloro-3-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 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 64602337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).