4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

C8H7F3N2O4 — CID 118824225

IUPAC4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESNCc1cc(=O)[nH]c(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)17-6-5(7(15)16)3(2-12)1-4(14)13-6/h1H,2,12H2,(H,13,14)(H,15,16)
InChIKeyFTDNNPGGJQIUJR-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.43
Rot. Bonds3

About 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 118824225) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID118824225
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESNCc1cc(=O)[nH]c(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)17-6-5(7(15)16)3(2-12)1-4(14)13-6/h1H,2,12H2,(H,13,14)(H,15,16)
InChIKeyFTDNNPGGJQIUJR-UHFFFAOYSA-N
XLogP0.43
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 118824225) is 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is NCc1cc(=O)[nH]c(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is FTDNNPGGJQIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4/c9-8(10,11)17-6-5(7(15)16)3(2-12)1-4(14)13-6/h1H,2,12H2,(H,13,14)(H,15,16).
What are the key properties of 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 252.15 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118824225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).