2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide

C13H9ClFN3O2 — CID 18282358

IUPAC2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFN3O2/c14-11-10(2-1-7-16-11)13(20)18-17-12(19)8-3-5-9(15)6-4-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyCJOOOUJAPGATQR-UHFFFAOYSA-N
MW293.69 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide

2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 18282358) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide
PubChem CID18282358
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFN3O2/c14-11-10(2-1-7-16-11)13(20)18-17-12(19)8-3-5-9(15)6-4-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyCJOOOUJAPGATQR-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 51.95
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

N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N'-Isonicotinoylbenzohydrazide
CID 569538
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
N-Piperidin-1-yl-nicotinamide
CID 787224
4-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-hydrazide
CID 9590741
3-Pyridinecarboxylic acid, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6862672
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774
Benzoic (3-pyridylmethylene)hydrazide
CID 6870931
6-Chloronicotinamide
CID 80456
N'-(4-chlorobenzylidene)isonicotinohydrazide
CID 6861518
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide (CID 18282358) is 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is CJOOOUJAPGATQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c14-11-10(2-1-7-16-11)13(20)18-17-12(19)8-3-5-9(15)6-4-8/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide?
2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 293.69 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-fluorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 18282358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).