methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate

C8H7F3N2O2 — CID 53417431

IUPACmethyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H7F3N2O2/c1-15-7(14)6-4(12)2-3-5(13-6)8(9,10)11/h2-3H,12H2,1H3
InChIKeyYUGAODRFFSGPNM-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.47
Rot. Bonds1

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

methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 53417431) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID53417431
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H7F3N2O2/c1-15-7(14)6-4(12)2-3-5(13-6)8(9,10)11/h2-3H,12H2,1H3
InChIKeyYUGAODRFFSGPNM-UHFFFAOYSA-N
XLogP1.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate (CID 53417431) is methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(C(F)(F)F)ccc1N.
What is the InChIKey of methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is YUGAODRFFSGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-7(14)6-4(12)2-3-5(13-6)8(9,10)11/h2-3H,12H2,1H3.
What are the key properties of methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 220.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 53417431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).