2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide

C14H11ClF3N3O2 — CID 45028252

IUPAC2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NO
InChIInChI=1S/C14H11ClF3N3O2/c1-7-2-3-8(15)6-10(7)19-12-9(13(22)21-23)4-5-11(20-12)14(16,17)18/h2-6,23H,1H3,(H,19,20)(H,21,22)
InChIKeyDLWJTDLWROUBGG-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.92
Rot. Bonds3

About 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide

2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45028252) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45028252
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NO
InChIInChI=1S/C14H11ClF3N3O2/c1-7-2-3-8(15)6-10(7)19-12-9(13(22)21-23)4-5-11(20-12)14(16,17)18/h2-6,23H,1H3,(H,19,20)(H,21,22)
InChIKeyDLWJTDLWROUBGG-UHFFFAOYSA-N
XLogP3.92
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide 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-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45028252) is 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NO.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DLWJTDLWROUBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-7-2-3-8(15)6-10(7)19-12-9(13(22)21-23)4-5-11(20-12)14(16,17)18/h2-6,23H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 345.71 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45028252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).