N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide

C13H9Cl2N3O2 — CID 818492

IUPACN'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H9Cl2N3O2/c14-10-2-1-9(7-11(10)15)13(20)18-17-12(19)8-3-5-16-6-4-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyJWXLVRKFLPQLHO-UHFFFAOYSA-N
MW310.14 g/mol
LogP2.46
Rot. Bonds2

About N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide

N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide (PubChem CID 818492) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide
PubChem CID818492
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC NameN'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H9Cl2N3O2/c14-10-2-1-9(7-11(10)15)13(20)18-17-12(19)8-3-5-16-6-4-8/h1-7H,(H,17,19)(H,18,20)
InChIKeyJWXLVRKFLPQLHO-UHFFFAOYSA-N
XLogP2.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide (CID 818492) is N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1.
What is the InChIKey of N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide?
The InChIKey is JWXLVRKFLPQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-10-2-1-9(7-11(10)15)13(20)18-17-12(19)8-3-5-16-6-4-8/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide?
N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide has a molecular weight of 310.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorobenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 818492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).