3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide

C13H8Cl2FN3O2 — CID 24819968

IUPAC3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2FN3O2/c14-9-5-6-10(15)17-11(9)13(21)19-18-12(20)7-1-3-8(16)4-2-7/h1-6H,(H,18,20)(H,19,21)
InChIKeyLOLHKSGVZAAGED-UHFFFAOYSA-N
MW328.13 g/mol
LogP2.60
Rot. Bonds2

About 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide

3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide (PubChem CID 24819968) has the molecular formula C13H8Cl2FN3O2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide
PubChem CID24819968
Molecular FormulaC13H8Cl2FN3O2
Molecular Weight328.13 g/mol
Exact Mass327.00
IUPAC Name3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2FN3O2/c14-9-5-6-10(15)17-11(9)13(21)19-18-12(20)7-1-3-8(16)4-2-7/h1-6H,(H,18,20)(H,19,21)
InChIKeyLOLHKSGVZAAGED-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide?
The IUPAC name of 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide (CID 24819968) is 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide?
The canonical SMILES for 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide is O=C(NNC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide?
The InChIKey is LOLHKSGVZAAGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3O2/c14-9-5-6-10(15)17-11(9)13(21)19-18-12(20)7-1-3-8(16)4-2-7/h1-6H,(H,18,20)(H,19,21).
What are the key properties of 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide?
3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide has a molecular weight of 328.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N'-(4-fluorobenzoyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 24819968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).