propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate

C11H13F3N2O3 — CID 54305610

IUPACpropyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc(C(F)(F)F)c(=O)[nH]c1NC
InChIInChI=1S/C11H13F3N2O3/c1-3-4-19-10(18)6-5-7(11(12,13)14)9(17)16-8(6)15-2/h5H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeySHGPFUXTVQZWMF-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.00
Rot. Bonds4

About propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate

propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate (PubChem CID 54305610) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
PubChem CID54305610
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Namepropyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCCOC(=O)c1cc(C(F)(F)F)c(=O)[nH]c1NC
InChIInChI=1S/C11H13F3N2O3/c1-3-4-19-10(18)6-5-7(11(12,13)14)9(17)16-8(6)15-2/h5H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeySHGPFUXTVQZWMF-UHFFFAOYSA-N
XLogP2.00
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The IUPAC name of propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate (CID 54305610) is propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The canonical SMILES for propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate is CCCOC(=O)c1cc(C(F)(F)F)c(=O)[nH]c1NC.
What is the InChIKey of propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The InChIKey is SHGPFUXTVQZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-3-4-19-10(18)6-5-7(11(12,13)14)9(17)16-8(6)15-2/h5H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate has a molecular weight of 278.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54305610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).