2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid

C8H8F3N3O3 — CID 119009677

IUPAC2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESNCc1cc(OC(F)(F)F)nc(N)c1C(=O)O
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)17-4-1-3(2-12)5(7(15)16)6(13)14-4/h1H,2,12H2,(H2,13,14)(H,15,16)
InChIKeyJFMDPQUUIFSHQU-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.72
Rot. Bonds3

About 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid

2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 119009677) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID119009677
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESNCc1cc(OC(F)(F)F)nc(N)c1C(=O)O
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)17-4-1-3(2-12)5(7(15)16)6(13)14-4/h1H,2,12H2,(H2,13,14)(H,15,16)
InChIKeyJFMDPQUUIFSHQU-UHFFFAOYSA-N
XLogP0.72
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid 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

4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134665513
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665509
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134672737

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 119009677) is 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid is NCc1cc(OC(F)(F)F)nc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is JFMDPQUUIFSHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)17-4-1-3(2-12)5(7(15)16)6(13)14-4/h1H,2,12H2,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 251.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 119009677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).