N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide

C13H8ClF2N3O2 — CID 68715711

IUPACN'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(F)nc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClF2N3O2/c14-8-3-1-7(2-4-8)12(20)18-19-13(21)9-5-6-10(15)17-11(9)16/h1-6H,(H,18,20)(H,19,21)
InChIKeyQJKZHJTUBATINK-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.09
Rot. Bonds2

About N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide

N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide (PubChem CID 68715711) has the molecular formula C13H8ClF2N3O2 and a molecular weight of 311.68 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide
PubChem CID68715711
Molecular FormulaC13H8ClF2N3O2
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC NameN'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(F)nc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClF2N3O2/c14-8-3-1-7(2-4-8)12(20)18-19-13(21)9-5-6-10(15)17-11(9)16/h1-6H,(H,18,20)(H,19,21)
InChIKeyQJKZHJTUBATINK-UHFFFAOYSA-N
XLogP2.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.09
H-Bond Donors ≤ 52
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

Nicotinic acid (4-chloro-benzylidene)-hydrazide
CID 6893814
2-chloro-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 721347
N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzenecarbohydrazide
CID 1482436
N'-(3-chlorobenzoyl)-4-(trifluoromethyl)nicotinohydrazide
CID 2726885
N-[(4-chlorophenyl)carbonylamino]-4-pyridylcarboxamide
CID 960057
3,4-dichloro-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 818539
6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide
CID 2604242
N'-(4-chlorobenzoyl)-4-(trifluoromethyl)nicotinohydrazide
CID 2726877
2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide
CID 18282358
3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide
CID 24819968
N'-(3-chlorobenzoyl)pyridine-3-carbohydrazide
CID 727406
2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
CID 2795935

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide (CID 68715711) is N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(F)nc1F)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide?
The InChIKey is QJKZHJTUBATINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O2/c14-8-3-1-7(2-4-8)12(20)18-19-13(21)9-5-6-10(15)17-11(9)16/h1-6H,(H,18,20)(H,19,21).
What are the key properties of N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide?
N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide has a molecular weight of 311.68 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide is sourced from PubChem (CID 68715711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).