methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate

C15H12N2O4 — CID 122145206

IUPACmethyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncccc2C#N)cc1OC
InChIInChI=1S/C15H12N2O4/c1-19-13-8-11(5-6-12(13)15(18)20-2)21-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3
InChIKeyHVQWPYPSLFMCTR-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.54
Rot. Bonds4

About methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate

methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate (PubChem CID 122145206) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
PubChem CID122145206
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Namemethyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncccc2C#N)cc1OC
InChIInChI=1S/C15H12N2O4/c1-19-13-8-11(5-6-12(13)15(18)20-2)21-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3
InChIKeyHVQWPYPSLFMCTR-UHFFFAOYSA-N
XLogP2.54
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249097
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
CID 56707715
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
CID 9203493
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate?
The IUPAC name of methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate (CID 122145206) is methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate is COC(=O)c1ccc(Oc2ncccc2C#N)cc1OC.
What is the InChIKey of methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate?
The InChIKey is HVQWPYPSLFMCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-19-13-8-11(5-6-12(13)15(18)20-2)21-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3.
What are the key properties of methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate?
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate has a molecular weight of 284.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate is sourced from PubChem (CID 122145206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).