methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate

C10H10F3NO4 — CID 145191610

IUPACmethyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(OCC(O)C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO4/c1-17-9(16)6-3-2-4-8(14-6)18-5-7(15)10(11,12)13/h2-4,7,15H,5H2,1H3
InChIKeyNBICTJBOAFLABF-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.17
Rot. Bonds4

About methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate

methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate (PubChem CID 145191610) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate
PubChem CID145191610
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Namemethyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(OCC(O)C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO4/c1-17-9(16)6-3-2-4-8(14-6)18-5-7(15)10(11,12)13/h2-4,7,15H,5H2,1H3
InChIKeyNBICTJBOAFLABF-UHFFFAOYSA-N
XLogP1.17
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate (CID 145191610) is methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate is COC(=O)c1cccc(OCC(O)C(F)(F)F)n1.
What is the InChIKey of methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate?
The InChIKey is NBICTJBOAFLABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-17-9(16)6-3-2-4-8(14-6)18-5-7(15)10(11,12)13/h2-4,7,15H,5H2,1H3.
What are the key properties of methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate?
methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate has a molecular weight of 265.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyridine-2-carboxylate is sourced from PubChem (CID 145191610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).