methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate

C10H7F3N2O2 — CID 133097358

IUPACmethyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)n1
InChIInChI=1S/C10H7F3N2O2/c1-17-9(16)4-6-2-3-7(10(11,12)13)8(5-14)15-6/h2-3H,4H2,1H3
InChIKeyRCLVLLHIWZTQIH-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.69
Rot. Bonds2

About methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 133097358) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID133097358
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)n1
InChIInChI=1S/C10H7F3N2O2/c1-17-9(16)4-6-2-3-7(10(11,12)13)8(5-14)15-6/h2-3H,4H2,1H3
InChIKeyRCLVLLHIWZTQIH-UHFFFAOYSA-N
XLogP1.69
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
methyl 2-[4-cyano-2-(trifluoromethyl)phenyl]acetate
CID 171028603
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
methyl 2-[6-cyano-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097360
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136
methyl 2-[3-(chloromethyl)-2-cyano-6-(trifluoromethyl)phenyl]acetate
CID 134635019
methyl formate;6-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 164905851
methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 2-[2-bromo-5-cyano-3-(trifluoromethyl)phenyl]acetate
CID 134634220

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate (CID 133097358) is methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1ccc(C(F)(F)F)c(C#N)n1.
What is the InChIKey of methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is RCLVLLHIWZTQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-9(16)4-6-2-3-7(10(11,12)13)8(5-14)15-6/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 244.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133097358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).