1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile

C14H11ClN2O2 — CID 84599189

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(CCOc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H11ClN2O2/c15-12-3-5-13(6-4-12)19-9-8-17-7-1-2-11(10-16)14(17)18/h1-7H,8-9H2
InChIKeyDPEZOSRHKHTQJS-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile

1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile (PubChem CID 84599189) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile
PubChem CID84599189
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(CCOc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H11ClN2O2/c15-12-3-5-13(6-4-12)19-9-8-17-7-1-2-11(10-16)14(17)18/h1-7H,8-9H2
InChIKeyDPEZOSRHKHTQJS-UHFFFAOYSA-N
XLogP2.45
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-Chloro-phenoxy)-ethyl]-1H-pyridin-2-one
CID 949560
6-[1-(4-Chlorophenoxy)ethyl]-2-hydroxynicotinonitrile
CID 3812355
1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 718036
1-(2-(2-chlorophenoxy)ethyl)pyridin-2(1H)-one
CID 896687
1-[2-(2,4-dichlorophenoxy)ethyl]pyridin-2(1H)-one
CID 898655
3-Chloro-1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2085827
2-[2-(4-chlorophenoxy)ethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8981758
1-[2-(2,4-Dichlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 9104176
5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 97076234
(2E,4Z)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-cyano-6-fluorohepta-2,4,6-trienamide
CID 169990205
1-[2-[3-(4-Chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one
CID 121418714
1-[2-(2-Chlorophenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 8892691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile (CID 84599189) is 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile is N#Cc1cccn(CCOc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is DPEZOSRHKHTQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-12-3-5-13(6-4-12)19-9-8-17-7-1-2-11(10-16)14(17)18/h1-7H,8-9H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile?
1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 84599189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).