3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile

C19H13Cl2N3O2 — CID 46178784

IUPAC3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2cc(CCc3ccccn3)[nH]c(=O)c2Cl)c1
InChIInChI=1S/C19H13Cl2N3O2/c20-13-7-12(11-22)8-16(9-13)26-17-10-15(24-19(25)18(17)21)5-4-14-3-1-2-6-23-14/h1-3,6-10H,4-5H2,(H,24,25)
InChIKeyGIBAAGPVYLSKSV-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.53
Rot. Bonds5

About 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile

3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile (PubChem CID 46178784) has the molecular formula C19H13Cl2N3O2 and a molecular weight of 386.24 g/mol. Its IUPAC name is 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile
PubChem CID46178784
Molecular FormulaC19H13Cl2N3O2
Molecular Weight386.24 g/mol
Exact Mass385.04
IUPAC Name3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2cc(CCc3ccccn3)[nH]c(=O)c2Cl)c1
InChIInChI=1S/C19H13Cl2N3O2/c20-13-7-12(11-22)8-16(9-13)26-17-10-15(24-19(25)18(17)21)5-4-14-3-1-2-6-23-14/h1-3,6-10H,4-5H2,(H,24,25)
InChIKeyGIBAAGPVYLSKSV-UHFFFAOYSA-N
XLogP4.53
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile with MolForge

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Related Compounds

3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
CID 59529755
4-(3-amino-5-chlorophenoxy)-3-chloro-6-(2-phenylethyl)-1H-pyridin-2-one
CID 89091429
3-chloro-5-[[2-oxo-6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethyl]-1H-pyridin-4-yl]oxy]benzonitrile
CID 42644394
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
3-[[2-(bromomethyl)-5-chloro-4-pyridinyl]oxy]-5-chlorobenzonitrile
CID 59529751
3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 91588000
3-chloro-5-[[3-chloro-2-methoxy-6-[2-(2-methyl-4-pyridinyl)ethyl]-4-pyridinyl]oxy]benzonitrile
CID 59225807
3-chloro-5-[4-chloro-2-[2-(5-chloro-2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]benzonitrile
CID 46869120
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl chloride
CID 21079734
3-chloro-5-[4-methyl-6-oxo-1-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]pyrimidin-5-yl]oxybenzonitrile
CID 121355291
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-chloro-5-[[5-hydroxy-2-methyl-6-oxo-3-(3-pyridin-3-ylpropyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 143951140

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
The IUPAC name of 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile (CID 46178784) is 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile is N#Cc1cc(Cl)cc(Oc2cc(CCc3ccccn3)[nH]c(=O)c2Cl)c1.
What is the InChIKey of 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
The InChIKey is GIBAAGPVYLSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2/c20-13-7-12(11-22)8-16(9-13)26-17-10-15(24-19(25)18(17)21)5-4-14-3-1-2-6-23-14/h1-3,6-10H,4-5H2,(H,24,25).
What are the key properties of 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile has a molecular weight of 386.24 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile is sourced from PubChem (CID 46178784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).