methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate

C9H10F3N3O3 — CID 133085924

IUPACmethyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)cc(OC(F)(F)F)c1CN
InChIInChI=1S/C9H10F3N3O3/c1-17-8(16)7-4(3-13)5(2-6(14)15-7)18-9(10,11)12/h2H,3,13H2,1H3,(H2,14,15)
InChIKeyUOGIJLNGUPIKGL-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.81
Rot. Bonds3

About methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate

methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 133085924) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID133085924
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Namemethyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)cc(OC(F)(F)F)c1CN
InChIInChI=1S/C9H10F3N3O3/c1-17-8(16)7-4(3-13)5(2-6(14)15-7)18-9(10,11)12/h2H,3,13H2,1H3,(H2,14,15)
InChIKeyUOGIJLNGUPIKGL-UHFFFAOYSA-N
XLogP0.81
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)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

Related Compounds

methyl 2-[6-amino-2-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086083
methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 133085848
methyl 5-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085948
methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665509
methyl 3-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668204
methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134672737
3-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridin-2-amine
CID 133086223
methyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668714
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118819823
5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 133085890

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate (CID 133085924) is methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(N)cc(OC(F)(F)F)c1CN.
What is the InChIKey of methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is UOGIJLNGUPIKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-17-8(16)7-4(3-13)5(2-6(14)15-7)18-9(10,11)12/h2H,3,13H2,1H3,(H2,14,15).
What are the key properties of methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 265.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 133085924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).