methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate

C8H7F3N2O2 — CID 131465361

IUPACmethyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(N)n1
InChIInChI=1S/C8H7F3N2O2/c1-15-7(14)5-3-2-4(6(12)13-5)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyKTCRGKPFUZTMBS-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.47
Rot. Bonds1

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

methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 131465361) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID131465361
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(N)n1
InChIInChI=1S/C8H7F3N2O2/c1-15-7(14)5-3-2-4(6(12)13-5)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyKTCRGKPFUZTMBS-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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Related Compounds

methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023691
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
methyl 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylate
CID 131297984
methyl 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate
CID 177288235
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
CID 118867675
methyl 6-(4-bromophenoxy)-5-(1,1-difluoroethyl)pyridine-2-carboxylate
CID 178091135
ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441068
ethyl 6-(bromomethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441065

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate (CID 131465361) is methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ccc(C(F)(F)F)c(N)n1.
What is the InChIKey of methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is KTCRGKPFUZTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-7(14)5-3-2-4(6(12)13-5)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 6-amino-5-(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 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 131465361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).