2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide

C13H10Cl3N3O — CID 1482439

IUPAC2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide
SMILESCN(NC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)n1
InChIInChI=1S/C13H10Cl3N3O/c1-19(11-7-3-6-10(16)17-11)18-13(20)12-8(14)4-2-5-9(12)15/h2-7H,1H3,(H,18,20)
InChIKeyAQKMIQAXYJVVJW-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.82
Rot. Bonds3

About 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide

2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide (PubChem CID 1482439) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide.

Molecular Properties

Compound Name2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide
PubChem CID1482439
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide
SMILESCN(NC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)n1
InChIInChI=1S/C13H10Cl3N3O/c1-19(11-7-3-6-10(16)17-11)18-13(20)12-8(14)4-2-5-9(12)15/h2-7H,1H3,(H,18,20)
InChIKeyAQKMIQAXYJVVJW-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
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 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
The IUPAC name of 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide (CID 1482439) is 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide.
What is the SMILES notation for 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
The canonical SMILES for 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide is CN(NC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)n1.
What is the InChIKey of 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
The InChIKey is AQKMIQAXYJVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c1-19(11-7-3-6-10(16)17-11)18-13(20)12-8(14)4-2-5-9(12)15/h2-7H,1H3,(H,18,20).
What are the key properties of 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide has a molecular weight of 330.60 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide is sourced from PubChem (CID 1482439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).