N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide

C17H17ClFN3O2 — CID 141400759

IUPACN-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H17ClFN3O2/c1-17(2,3)22(16(24)11-8-9-14(18)20-10-11)21-15(23)12-6-4-5-7-13(12)19/h4-10H,1-3H3,(H,21,23)
InChIKeyUBTHNQNNAQQJQC-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.46
Rot. Bonds2

About N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide

N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 141400759) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
PubChem CID141400759
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H17ClFN3O2/c1-17(2,3)22(16(24)11-8-9-14(18)20-10-11)21-15(23)12-6-4-5-7-13(12)19/h4-10H,1-3H3,(H,21,23)
InChIKeyUBTHNQNNAQQJQC-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
CID 141400773
N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400826
N-tert-butyl-N'-(2-fluorobenzoyl)-2-nitrobenzohydrazide;trihydrochloride
CID 70295139
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400792
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
CID 19367989
N-tert-butyl-N'-(4-chlorobenzoyl)quinoline-8-carbohydrazide
CID 134106621

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide (CID 141400759) is N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide is CC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is UBTHNQNNAQQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-17(2,3)22(16(24)11-8-9-14(18)20-10-11)21-15(23)12-6-4-5-7-13(12)19/h4-10H,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide?
N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 349.79 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 141400759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).