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

C13H8Cl2N2O2 — CID 59529755

IUPAC3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
SMILESCc1cc(Oc2cc(Cl)cc(C#N)c2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H8Cl2N2O2/c1-7-2-11(12(15)13(18)17-7)19-10-4-8(6-16)3-9(14)5-10/h2-5H,1H3,(H,17,18)
InChIKeyCCVGTXWPCXMELR-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.65
Rot. Bonds2

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

3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile (PubChem CID 59529755) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
PubChem CID59529755
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC Name3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
SMILESCc1cc(Oc2cc(Cl)cc(C#N)c2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H8Cl2N2O2/c1-7-2-11(12(15)13(18)17-7)19-10-4-8(6-16)3-9(14)5-10/h2-5H,1H3,(H,17,18)
InChIKeyCCVGTXWPCXMELR-UHFFFAOYSA-N
XLogP3.65
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 46178784
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl chloride
CID 21079734
3-chloro-5-[2,3-dimethyl-4-(2-oxoethyl)phenoxy]benzonitrile
CID 89267976
3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile
CID 58460041
3-chloro-5-[4-chloro-2-[2-(5-chloro-2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]benzonitrile
CID 46869120
3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
CID 59451640
3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile
CID 58460048
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
3-chloro-5-[[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridin-4-yl]oxy]benzonitrile
CID 44611991
3-chloro-5-[2-chloro-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzonitrile
CID 25028003
3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 91588000
4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586114

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile?
The IUPAC name of 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile (CID 59529755) is 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile is Cc1cc(Oc2cc(Cl)cc(C#N)c2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile?
The InChIKey is CCVGTXWPCXMELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c1-7-2-11(12(15)13(18)17-7)19-10-4-8(6-16)3-9(14)5-10/h2-5H,1H3,(H,17,18).
What are the key properties of 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile?
3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile has a molecular weight of 295.13 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile is sourced from PubChem (CID 59529755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).