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

C9H9F3N2O3 — CID 71743539

IUPACmethyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(C(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2O3/c1-16-7-4(9(10,11)12)3-5(13)6(14-7)8(15)17-2/h3H,13H2,1-2H3
InChIKeyDILWBQLSWCTDND-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.48
Rot. Bonds2

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

methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 71743539) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID71743539
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Namemethyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(C(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2O3/c1-16-7-4(9(10,11)12)3-5(13)6(14-7)8(15)17-2/h3H,13H2,1-2H3
InChIKeyDILWBQLSWCTDND-UHFFFAOYSA-N
XLogP1.48
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate (CID 71743539) is methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(OC)c(C(F)(F)F)cc1N.
What is the InChIKey of methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is DILWBQLSWCTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-16-7-4(9(10,11)12)3-5(13)6(14-7)8(15)17-2/h3H,13H2,1-2H3.
What are the key properties of methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 250.18 g/mol, XLogP of 1.48, 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-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 71743539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).