methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate

C14H10N2O3 — CID 18194841

IUPACmethyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2ncccc2C#N)c1
InChIInChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-6-12(8-10)19-13-11(9-15)5-3-7-16-13/h2-8H,1H3
InChIKeyNPNQUPCRQAGBTB-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.53
Rot. Bonds3

About methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate

methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate (PubChem CID 18194841) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
PubChem CID18194841
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Namemethyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1cccc(Oc2ncccc2C#N)c1
InChIInChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-6-12(8-10)19-13-11(9-15)5-3-7-16-13/h2-8H,1H3
InChIKeyNPNQUPCRQAGBTB-UHFFFAOYSA-N
XLogP2.53
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate (CID 18194841) is methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate is COC(=O)c1cccc(Oc2ncccc2C#N)c1.
What is the InChIKey of methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate?
The InChIKey is NPNQUPCRQAGBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-6-12(8-10)19-13-11(9-15)5-3-7-16-13/h2-8H,1H3.
What are the key properties of methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate?
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate has a molecular weight of 254.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 18194841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).