2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile

C14H11N3O2 — CID 118928198

IUPAC2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile
SMILESCCc1cc(Oc2ccc(N=O)cn2)ccc1C#N
InChIInChI=1S/C14H11N3O2/c1-2-10-7-13(5-3-11(10)8-15)19-14-6-4-12(17-18)9-16-14/h3-7,9H,2H2,1H3
InChIKeySOLGSCMITPVCLW-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.71
Rot. Bonds4

About 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile

2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile (PubChem CID 118928198) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile
PubChem CID118928198
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile
SMILESCCc1cc(Oc2ccc(N=O)cn2)ccc1C#N
InChIInChI=1S/C14H11N3O2/c1-2-10-7-13(5-3-11(10)8-15)19-14-6-4-12(17-18)9-16-14/h3-7,9H,2H2,1H3
InChIKeySOLGSCMITPVCLW-UHFFFAOYSA-N
XLogP3.71
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile (CID 118928198) is 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile is CCc1cc(Oc2ccc(N=O)cn2)ccc1C#N.
What is the InChIKey of 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile?
The InChIKey is SOLGSCMITPVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-2-10-7-13(5-3-11(10)8-15)19-14-6-4-12(17-18)9-16-14/h3-7,9H,2H2,1H3.
What are the key properties of 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile?
2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile has a molecular weight of 253.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 118928198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).