methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate

C12H9F3N2O3 — CID 166633895

IUPACmethyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)c(C(F)(F)F)cc1N
InChIInChI=1S/C12H9F3N2O3/c1-19-11(18)10-7(16)5-6(12(13,14)15)9(17-10)8-3-2-4-20-8/h2-5H,16H2,1H3
InChIKeyVSOSGZJMSRVWGW-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.73
Rot. Bonds2

About methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 166633895) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID166633895
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Namemethyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccco2)c(C(F)(F)F)cc1N
InChIInChI=1S/C12H9F3N2O3/c1-19-11(18)10-7(16)5-6(12(13,14)15)9(17-10)8-3-2-4-20-8/h2-5H,16H2,1H3
InChIKeyVSOSGZJMSRVWGW-UHFFFAOYSA-N
XLogP2.73
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate (CID 166633895) is methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccco2)c(C(F)(F)F)cc1N.
What is the InChIKey of methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is VSOSGZJMSRVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-19-11(18)10-7(16)5-6(12(13,14)15)9(17-10)8-3-2-4-20-8/h2-5H,16H2,1H3.
What are the key properties of methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 286.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 166633895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).