methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate

C15H11FN2O3 — CID 167796916

IUPACmethyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate
SMILESCOC(=O)Cc1ccnc(Oc2ccccc2C#N)c1F
InChIInChI=1S/C15H11FN2O3/c1-20-13(19)8-10-6-7-18-15(14(10)16)21-12-5-3-2-4-11(12)9-17/h2-7H,8H2,1H3
InChIKeyWBLMGGRVANCFLP-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate

methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate (PubChem CID 167796916) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate
PubChem CID167796916
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Namemethyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate
SMILESCOC(=O)Cc1ccnc(Oc2ccccc2C#N)c1F
InChIInChI=1S/C15H11FN2O3/c1-20-13(19)8-10-6-7-18-15(14(10)16)21-12-5-3-2-4-11(12)9-17/h2-7H,8H2,1H3
InChIKeyWBLMGGRVANCFLP-UHFFFAOYSA-N
XLogP2.60
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
CID 11187557
(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide
CID 59971103
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634
methyl 2-(2-bromo-3-cyano-4-pyridinyl)acetate
CID 131030120
[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
CID 105383241
methyl 2-(3-cyano-2-methoxyphenyl)acetate
CID 134658149
methyl 3-(2-cyanophenoxy)butanoate
CID 43536058
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate
CID 21494416
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
2-(2-cyanophenoxy)benzonitrile
CID 13435570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate (CID 167796916) is methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate is COC(=O)Cc1ccnc(Oc2ccccc2C#N)c1F.
What is the InChIKey of methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate?
The InChIKey is WBLMGGRVANCFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-20-13(19)8-10-6-7-18-15(14(10)16)21-12-5-3-2-4-11(12)9-17/h2-7H,8H2,1H3.
What are the key properties of methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate?
methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate has a molecular weight of 286.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate is sourced from PubChem (CID 167796916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).