4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile

C20H15ClN2O3 — CID 66666696

IUPAC4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile
SMILESCOc1cc(Cl)ccc1Oc1ccc(C#N)cc1-c1cccnc1OC
InChIInChI=1S/C20H15ClN2O3/c1-24-19-11-14(21)6-8-18(19)26-17-7-5-13(12-22)10-16(17)15-4-3-9-23-20(15)25-2/h3-11H,1-2H3
InChIKeyZEKODTFYBCXYMW-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.08
Rot. Bonds5

About 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile

4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile (PubChem CID 66666696) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile
PubChem CID66666696
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile
SMILESCOc1cc(Cl)ccc1Oc1ccc(C#N)cc1-c1cccnc1OC
InChIInChI=1S/C20H15ClN2O3/c1-24-19-11-14(21)6-8-18(19)26-17-7-5-13(12-22)10-16(17)15-4-3-9-23-20(15)25-2/h3-11H,1-2H3
InChIKeyZEKODTFYBCXYMW-UHFFFAOYSA-N
XLogP5.08
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid
CID 66667694
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
2-(4-cyano-2-methoxyphenoxy)pyridine-3-sulfonamide
CID 115928413
3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
CID 106951592
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
CID 11644815
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile?
The IUPAC name of 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile (CID 66666696) is 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile?
The canonical SMILES for 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile is COc1cc(Cl)ccc1Oc1ccc(C#N)cc1-c1cccnc1OC.
What is the InChIKey of 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile?
The InChIKey is ZEKODTFYBCXYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-24-19-11-14(21)6-8-18(19)26-17-7-5-13(12-22)10-16(17)15-4-3-9-23-20(15)25-2/h3-11H,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile?
4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile has a molecular weight of 366.80 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile is sourced from PubChem (CID 66666696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).