propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate

C17H15F3N2O3 — CID 4575645

IUPACpropan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H15F3N2O3/c1-10(2)25-16(24)14-8-4-7-13(22-14)15(23)21-12-6-3-5-11(9-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChIKeyIXWJYOHORAWZII-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.92
Rot. Bonds4

About propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate

propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 4575645) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
PubChem CID4575645
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Namepropan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H15F3N2O3/c1-10(2)25-16(24)14-8-4-7-13(22-14)15(23)21-12-6-3-5-11(9-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChIKeyIXWJYOHORAWZII-UHFFFAOYSA-N
XLogP3.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate (CID 4575645) is propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is IXWJYOHORAWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10(2)25-16(24)14-8-4-7-13(22-14)15(23)21-12-6-3-5-11(9-12)17(18,19)20/h3-10H,1-2H3,(H,21,23).
What are the key properties of propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 352.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 4575645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).