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

C10H10N2O3 — CID 117096453

IUPACmethyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
SMILESCOC(=O)C(C)Oc1ncccc1C#N
InChIInChI=1S/C10H10N2O3/c1-7(10(13)14-2)15-9-8(6-11)4-3-5-12-9/h3-5,7H,1-2H3
InChIKeyQVFYVFHUBZGHCB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.89
Rot. Bonds3

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

methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate (PubChem CID 117096453) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
PubChem CID117096453
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
SMILESCOC(=O)C(C)Oc1ncccc1C#N
InChIInChI=1S/C10H10N2O3/c1-7(10(13)14-2)15-9-8(6-11)4-3-5-12-9/h3-5,7H,1-2H3
InChIKeyQVFYVFHUBZGHCB-UHFFFAOYSA-N
XLogP0.89
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
CID 94830267
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate
CID 130341078
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
methyl (2S)-2-amino-2-(2-cyanophenyl)acetate
CID 130692626

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate?
The IUPAC name of methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate (CID 117096453) is methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate.
What is the SMILES notation for methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate?
The canonical SMILES for methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate is COC(=O)C(C)Oc1ncccc1C#N.
What is the InChIKey of methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate?
The InChIKey is QVFYVFHUBZGHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(10(13)14-2)15-9-8(6-11)4-3-5-12-9/h3-5,7H,1-2H3.
What are the key properties of methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate?
methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate has a molecular weight of 206.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate is sourced from PubChem (CID 117096453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).