methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate

C16H17F3N4O4 — CID 66803089

IUPACmethyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NCC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O2.C7H8N2O2/c1-16-8(15)7-3-2-6(4-13-7)14-5-9(10,11)12;1-11-7(10)6-3-2-5(8)4-9-6/h2-4,14H,5H2,1H3;2-4H,8H2,1H3
InChIKeySMCPVTZSTVKNCN-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.29
Rot. Bonds4

About methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate

methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate (PubChem CID 66803089) has the molecular formula C16H17F3N4O4 and a molecular weight of 386.33 g/mol. Its IUPAC name is methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
PubChem CID66803089
Molecular FormulaC16H17F3N4O4
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC Namemethyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NCC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O2.C7H8N2O2/c1-16-8(15)7-3-2-6(4-13-7)14-5-9(10,11)12;1-11-7(10)6-3-2-5(8)4-9-6/h2-4,14H,5H2,1H3;2-4H,8H2,1H3
InChIKeySMCPVTZSTVKNCN-UHFFFAOYSA-N
XLogP2.29
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate (CID 66803089) is methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate is COC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NCC(F)(F)F)cn1.
What is the InChIKey of methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate?
The InChIKey is SMCPVTZSTVKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.C7H8N2O2/c1-16-8(15)7-3-2-6(4-13-7)14-5-9(10,11)12;1-11-7(10)6-3-2-5(8)4-9-6/h2-4,14H,5H2,1H3;2-4H,8H2,1H3.
What are the key properties of methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate?
methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate has a molecular weight of 386.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminopyridine-2-carboxylate;methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 66803089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).