methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate

C16H12F2N2O4 — CID 178170316

IUPACmethyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncccc1Oc1cccc(OC(F)F)c1C#N
InChIInChI=1S/C16H12F2N2O4/c1-22-15(21)8-11-14(6-3-7-20-11)23-12-4-2-5-13(10(12)9-19)24-16(17)18/h2-7,16H,8H2,1H3
InChIKeyNZFLTCOGGXAKTH-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.06
Rot. Bonds6

About methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate

methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate (PubChem CID 178170316) has the molecular formula C16H12F2N2O4 and a molecular weight of 334.28 g/mol. Its IUPAC name is methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate
PubChem CID178170316
Molecular FormulaC16H12F2N2O4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Namemethyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncccc1Oc1cccc(OC(F)F)c1C#N
InChIInChI=1S/C16H12F2N2O4/c1-22-15(21)8-11-14(6-3-7-20-11)23-12-4-2-5-13(10(12)9-19)24-16(17)18/h2-7,16H,8H2,1H3
InChIKeyNZFLTCOGGXAKTH-UHFFFAOYSA-N
XLogP3.06
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(chloromethyl)-3-cyano-4-(difluoromethoxy)phenyl]acetate
CID 134634307
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
methyl 2-[3-cyano-2-(difluoromethoxy)-4-methoxyphenyl]acetate
CID 134635055
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
dimethyl 2-[3-(difluoromethoxy)-2-pyridinyl]propanedioate
CID 155210458
methyl 2-[4-cyano-3-(difluoromethoxy)-5-ethylphenyl]acetate
CID 134613527
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[2-cyano-5-(difluoromethoxy)-3-ethylphenyl]acetate
CID 134613957
methyl 2-[5-cyano-4-(difluoromethoxy)-2-ethylphenyl]acetate
CID 134613385
2-(2-bromopropanoyl)-6-(difluoromethoxy)benzonitrile
CID 170838169
methyl 2-[2-amino-5-cyano-3-(difluoromethoxy)phenyl]acetate
CID 171024348
methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate
CID 19771885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate (CID 178170316) is methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate is COC(=O)Cc1ncccc1Oc1cccc(OC(F)F)c1C#N.
What is the InChIKey of methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate?
The InChIKey is NZFLTCOGGXAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4/c1-22-15(21)8-11-14(6-3-7-20-11)23-12-4-2-5-13(10(12)9-19)24-16(17)18/h2-7,16H,8H2,1H3.
What are the key properties of methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate?
methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate has a molecular weight of 334.28 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-cyano-3-(difluoromethoxy)phenoxy]-2-pyridinyl]acetate is sourced from PubChem (CID 178170316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).