2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C10H5F3N4O4 — CID 79876568

IUPAC2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H5F3N4O4/c11-10(12,13)7-2-1-6(9(18)19)8(15-7)16-4-5(3-14-16)17(20)21/h1-4H,(H,18,19)
InChIKeyYCZKHMMOQOPGFP-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876568) has the molecular formula C10H5F3N4O4 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876568
Molecular FormulaC10H5F3N4O4
Molecular Weight302.17 g/mol
Exact Mass302.03
IUPAC Name2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H5F3N4O4/c11-10(12,13)7-2-1-6(9(18)19)8(15-7)16-4-5(3-14-16)17(20)21/h1-4H,(H,18,19)
InChIKeyYCZKHMMOQOPGFP-UHFFFAOYSA-N
XLogP1.89
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)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 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876568) is 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1-n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is YCZKHMMOQOPGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O4/c11-10(12,13)7-2-1-6(9(18)19)8(15-7)16-4-5(3-14-16)17(20)21/h1-4H,(H,18,19).
What are the key properties of 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 302.17 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).