4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile

C20H14Cl2N2O2 — CID 56925666

IUPAC4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(OCCc2ccncc2)c1
InChIInChI=1S/C20H14Cl2N2O2/c21-16-2-3-17(22)19(12-16)26-18-4-1-15(13-23)11-20(18)25-10-7-14-5-8-24-9-6-14/h1-6,8-9,11-12H,7,10H2
InChIKeyYMZFMAGCQQJFNM-UHFFFAOYSA-N
MW385.25 g/mol
LogP5.67
Rot. Bonds6

About 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile

4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile (PubChem CID 56925666) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile
PubChem CID56925666
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC Name4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(OCCc2ccncc2)c1
InChIInChI=1S/C20H14Cl2N2O2/c21-16-2-3-17(22)19(12-16)26-18-4-1-15(13-23)11-20(18)25-10-7-14-5-8-24-9-6-14/h1-6,8-9,11-12H,7,10H2
InChIKeyYMZFMAGCQQJFNM-UHFFFAOYSA-N
XLogP5.67
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile?
The IUPAC name of 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile (CID 56925666) is 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile is N#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(OCCc2ccncc2)c1.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile?
The InChIKey is YMZFMAGCQQJFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c21-16-2-3-17(22)19(12-16)26-18-4-1-15(13-23)11-20(18)25-10-7-14-5-8-24-9-6-14/h1-6,8-9,11-12H,7,10H2.
What are the key properties of 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile?
4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile has a molecular weight of 385.25 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-3-(2-pyridin-4-ylethoxy)benzonitrile is sourced from PubChem (CID 56925666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).