N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide

C17H14ClF4N3O2 — CID 141400792

IUPACN-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1cc(F)c(F)c(F)c1F)C(=O)c1cccnc1Cl
InChIInChI=1S/C17H14ClF4N3O2/c1-17(2,3)25(16(27)8-5-4-6-23-14(8)18)24-15(26)9-7-10(19)12(21)13(22)11(9)20/h4-7H,1-3H3,(H,24,26)
InChIKeyPNBVXNDJMYRJBH-UHFFFAOYSA-N
MW403.76 g/mol
LogP3.88
Rot. Bonds2

About N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide

N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 141400792) has the molecular formula C17H14ClF4N3O2 and a molecular weight of 403.76 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
PubChem CID141400792
Molecular FormulaC17H14ClF4N3O2
Molecular Weight403.76 g/mol
Exact Mass403.07
IUPAC NameN-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1cc(F)c(F)c(F)c1F)C(=O)c1cccnc1Cl
InChIInChI=1S/C17H14ClF4N3O2/c1-17(2,3)25(16(27)8-5-4-6-23-14(8)18)24-15(26)9-7-10(19)12(21)13(22)11(9)20/h4-7H,1-3H3,(H,24,26)
InChIKeyPNBVXNDJMYRJBH-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide 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 N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide (CID 141400792) is N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide is CC(C)(C)N(NC(=O)c1cc(F)c(F)c(F)c1F)C(=O)c1cccnc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is PNBVXNDJMYRJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O2/c1-17(2,3)25(16(27)8-5-4-6-23-14(8)18)24-15(26)9-7-10(19)12(21)13(22)11(9)20/h4-7H,1-3H3,(H,24,26).
What are the key properties of N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 403.76 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 141400792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).