6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide

C12H6ClF4N3O — CID 2604242

IUPAC6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(Cl)nc1
InChIInChI=1S/C12H6ClF4N3O/c13-8-2-1-5(4-18-8)12(21)20-19-11-9(16)6(14)3-7(15)10(11)17/h1-4,19H,(H,20,21)
InChIKeyXZMLWIAYVCHIHQ-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.05
Rot. Bonds3

About 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide

6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide (PubChem CID 2604242) has the molecular formula C12H6ClF4N3O and a molecular weight of 319.65 g/mol. Its IUPAC name is 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide
PubChem CID2604242
Molecular FormulaC12H6ClF4N3O
Molecular Weight319.65 g/mol
Exact Mass319.01
IUPAC Name6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(Cl)nc1
InChIInChI=1S/C12H6ClF4N3O/c13-8-2-1-5(4-18-8)12(21)20-19-11-9(16)6(14)3-7(15)10(11)17/h1-4,19H,(H,20,21)
InChIKeyXZMLWIAYVCHIHQ-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.65
LogP ≤ 53.05
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400826
6-amino-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107642987
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
CID 16654125
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide?
The IUPAC name of 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide (CID 2604242) is 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide?
The canonical SMILES for 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide is O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide?
The InChIKey is XZMLWIAYVCHIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N3O/c13-8-2-1-5(4-18-8)12(21)20-19-11-9(16)6(14)3-7(15)10(11)17/h1-4,19H,(H,20,21).
What are the key properties of 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide?
6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide has a molecular weight of 319.65 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 2604242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).