6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid

C9H10F3N3O3 — CID 152736749

IUPAC6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESNc1cc(NCCOC(F)(F)F)c(C(=O)O)cn1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)18-2-1-14-6-3-7(13)15-4-5(6)8(16)17/h3-4H,1-2H2,(H,16,17)(H3,13,14,15)
InChIKeyZYTPCOXEXKSFSJ-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.31
Rot. Bonds5

About 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid

6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid (PubChem CID 152736749) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid
PubChem CID152736749
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESNc1cc(NCCOC(F)(F)F)c(C(=O)O)cn1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)18-2-1-14-6-3-7(13)15-4-5(6)8(16)17/h3-4H,1-2H2,(H,16,17)(H3,13,14,15)
InChIKeyZYTPCOXEXKSFSJ-UHFFFAOYSA-N
XLogP1.31
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Niflumic Acid
CID 4488
2-Aminonicotinic acid
CID 72930
6-Aminonicotinic acid
CID 18496
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
6-(Phenylamino)nicotinic acid
CID 2771812
6-Amino-4-methylnicotinic acid
CID 9964149
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
4-Aminonicotinic acid
CID 319979
6-(Cyclopentylamino)nicotinic acid
CID 1447952
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994
6-(Prop-2-enylamino)pyridine-3-carboxylic acid
CID 28399894

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid (CID 152736749) is 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid is Nc1cc(NCCOC(F)(F)F)c(C(=O)O)cn1.
What is the InChIKey of 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is ZYTPCOXEXKSFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)18-2-1-14-6-3-7(13)15-4-5(6)8(16)17/h3-4H,1-2H2,(H,16,17)(H3,13,14,15).
What are the key properties of 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid?
6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 152736749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).