3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile

C14H9ClN2O3 — CID 58460041

IUPAC3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile
SMILESCC(=O)c1cc[nH]c(=O)c1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C14H9ClN2O3/c1-8(18)12-2-3-17-14(19)13(12)20-11-5-9(7-16)4-10(15)6-11/h2-6H,1H3,(H,17,19)
InChIKeyGXWCVUKXEQPBJL-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.89
Rot. Bonds3

About 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile

3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile (PubChem CID 58460041) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile.

Molecular Properties

Compound Name3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile
PubChem CID58460041
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile
SMILESCC(=O)c1cc[nH]c(=O)c1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C14H9ClN2O3/c1-8(18)12-2-3-17-14(19)13(12)20-11-5-9(7-16)4-10(15)6-11/h2-6H,1H3,(H,17,19)
InChIKeyGXWCVUKXEQPBJL-UHFFFAOYSA-N
XLogP2.89
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile
CID 58460048
3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
CID 59529755
3-[[2-[(2-acetyl-6-oxo-1H-pyrimidin-5-yl)methyl]-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]oxy]-5-chlorobenzonitrile
CID 136931315
3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
CID 59451640
3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 91588000
2-[5-bromo-4-(3-chloro-5-cyanophenoxy)-3-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
CID 59225766
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl chloride
CID 21079734
3-chloro-5-[[3-methyl-2-oxo-5-(3-pyridin-4-ylpropyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 70909059
3-[1-[(5-acetyl-2-ethyl-6-oxo-1H-pyridin-3-yl)methyl]-4-(1,1-difluoro-2-methylprop-2-enyl)-6-oxopyrimidin-5-yl]oxy-5-chlorobenzonitrile
CID 123406583
3-chloro-5-propan-2-yloxybenzonitrile
CID 58503685
ethyl 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]acetate
CID 66999330
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 59451422

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile?
The IUPAC name of 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile (CID 58460041) is 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile.
What is the SMILES notation for 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile?
The canonical SMILES for 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile is CC(=O)c1cc[nH]c(=O)c1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile?
The InChIKey is GXWCVUKXEQPBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-8(18)12-2-3-17-14(19)13(12)20-11-5-9(7-16)4-10(15)6-11/h2-6H,1H3,(H,17,19).
What are the key properties of 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile?
3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile has a molecular weight of 288.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile is sourced from PubChem (CID 58460041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).