methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate

C10H7F3N2O3 — CID 138584566

IUPACmethyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C#N)cc(OCC(F)(F)F)n1
InChIInChI=1S/C10H7F3N2O3/c1-17-9(16)7-2-6(4-14)3-8(15-7)18-5-10(11,12)13/h2-3H,5H2,1H3
InChIKeyGBUIOISEOQJSFK-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.68
Rot. Bonds3

About methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate

methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate (PubChem CID 138584566) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
PubChem CID138584566
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Namemethyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C#N)cc(OCC(F)(F)F)n1
InChIInChI=1S/C10H7F3N2O3/c1-17-9(16)7-2-6(4-14)3-8(15-7)18-5-10(11,12)13/h2-3H,5H2,1H3
InChIKeyGBUIOISEOQJSFK-UHFFFAOYSA-N
XLogP1.68
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-(Trifluoromethyl)phenoxy)picolinic acid
CID 4271775
Methyl 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylate
CID 3314738
Ethyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy}acetate
CID 2728462
2-[(6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carbonyl)-amino]-2-ethyl-butyric acid methyl ester
CID 71087209
Ethyl 2-(6-(cyclopropylmethoxy)-5-(trifluoromethyl)picolinamido)-2-ethylbutanoate
CID 71087413
Methyl 2-methyl-2-(5-methyl-6-(2,2,2-trifluoroethoxy)picolinamido)propanoate
CID 71087523
(3-Cyano-4,6-dimethyl-2-pyridinyl) 2,6-difluorobenzoate
CID 2726029
Methyl 6-methoxypyridine-2-carboxylate
CID 16218333
6-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 21253041
Ethyl 6-ethoxypyridine-2-carboxylate
CID 53393170
6-(2,2-Difluoroethoxy)pyridine-2-carboxylic acid
CID 71757510
6-Methoxy-5-(trifluoromethyl)picolinic acid
CID 73554371

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate (CID 138584566) is methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate is COC(=O)c1cc(C#N)cc(OCC(F)(F)F)n1.
What is the InChIKey of methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?
The InChIKey is GBUIOISEOQJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-17-9(16)7-2-6(4-14)3-8(15-7)18-5-10(11,12)13/h2-3H,5H2,1H3.
What are the key properties of methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?
methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate has a molecular weight of 260.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 138584566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).