methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate

C11H11F3N2O3 — CID 54168027

IUPACmethyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c(=O)[nH]c1NC1CC1
InChIInChI=1S/C11H11F3N2O3/c1-19-10(18)6-4-7(11(12,13)14)9(17)16-8(6)15-5-2-3-5/h4-5H,2-3H2,1H3,(H2,15,16,17)
InChIKeyOTAGFQNJZWTFRO-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate

methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate (PubChem CID 54168027) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
PubChem CID54168027
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Namemethyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c(=O)[nH]c1NC1CC1
InChIInChI=1S/C11H11F3N2O3/c1-19-10(18)6-4-7(11(12,13)14)9(17)16-8(6)15-5-2-3-5/h4-5H,2-3H2,1H3,(H2,15,16,17)
InChIKeyOTAGFQNJZWTFRO-UHFFFAOYSA-N
XLogP1.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate (CID 54168027) is methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate is COC(=O)c1cc(C(F)(F)F)c(=O)[nH]c1NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The InChIKey is OTAGFQNJZWTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-19-10(18)6-4-7(11(12,13)14)9(17)16-8(6)15-5-2-3-5/h4-5H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate?
methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate has a molecular weight of 276.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54168027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).