2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide

C14H12ClF3N4O2 — CID 45028722

IUPAC2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCOc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NN
InChIInChI=1S/C14H12ClF3N4O2/c1-24-10-4-2-7(15)6-9(10)20-12-8(13(23)22-19)3-5-11(21-12)14(16,17)18/h2-6H,19H2,1H3,(H,20,21)(H,22,23)
InChIKeyFKILIECJPZJYGK-UHFFFAOYSA-N
MW360.72 g/mol
LogP3.11
Rot. Bonds4

About 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide

2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 45028722) has the molecular formula C14H12ClF3N4O2 and a molecular weight of 360.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID45028722
Molecular FormulaC14H12ClF3N4O2
Molecular Weight360.72 g/mol
Exact Mass360.06
IUPAC Name2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCOc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NN
InChIInChI=1S/C14H12ClF3N4O2/c1-24-10-4-2-7(15)6-9(10)20-12-8(13(23)22-19)3-5-11(21-12)14(16,17)18/h2-6H,19H2,1H3,(H,20,21)(H,22,23)
InChIKeyFKILIECJPZJYGK-UHFFFAOYSA-N
XLogP3.11
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide (CID 45028722) is 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide is COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NN.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is FKILIECJPZJYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O2/c1-24-10-4-2-7(15)6-9(10)20-12-8(13(23)22-19)3-5-11(21-12)14(16,17)18/h2-6H,19H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 360.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 45028722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).