methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate

C11H11F3N2O3 — CID 59354919

IUPACmethyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCC(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3/c1-19-10(18)7-2-3-8(16-6-7)9(17)15-5-4-11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,17)
InChIKeyLRBWHQFCOMZTHP-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.55
Rot. Bonds4

About methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate

methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate (PubChem CID 59354919) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate
PubChem CID59354919
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Namemethyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCC(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3/c1-19-10(18)7-2-3-8(16-6-7)9(17)15-5-4-11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,17)
InChIKeyLRBWHQFCOMZTHP-UHFFFAOYSA-N
XLogP1.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate (CID 59354919) is methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCCC(F)(F)F)nc1.
What is the InChIKey of methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is LRBWHQFCOMZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-19-10(18)7-2-3-8(16-6-7)9(17)15-5-4-11(12,13)14/h2-3,6H,4-5H2,1H3,(H,15,17).
What are the key properties of methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 276.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3,3-trifluoropropylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 59354919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).