2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C14H11F3N4O3 — CID 121267742

IUPAC2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(NNc1nc(C(F)(F)F)ccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)10-7-6-9(12(22)23)11(19-10)20-21-13(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,20)(H,22,23)(H2,18,21,24)
InChIKeyUSYLJKLMHXPXJV-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 121267742) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID121267742
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC Name2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(NNc1nc(C(F)(F)F)ccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)10-7-6-9(12(22)23)11(19-10)20-21-13(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,20)(H,22,23)(H2,18,21,24)
InChIKeyUSYLJKLMHXPXJV-UHFFFAOYSA-N
XLogP2.95
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 121267742) is 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(NNc1nc(C(F)(F)F)ccc1C(=O)O)Nc1ccccc1.
What is the InChIKey of 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is USYLJKLMHXPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c15-14(16,17)10-7-6-9(12(22)23)11(19-10)20-21-13(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,20)(H,22,23)(H2,18,21,24).
What are the key properties of 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 340.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121267742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).