4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide

C13H11Cl2N3O — CID 1482390

IUPAC4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide
SMILESCN(NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-18(12-4-2-3-11(15)16-12)17-13(19)9-5-7-10(14)8-6-9/h2-8H,1H3,(H,17,19)
InChIKeyCRAQKAYFXPOZLG-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.17
Rot. Bonds3

About 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide

4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide (PubChem CID 1482390) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide
PubChem CID1482390
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide
SMILESCN(NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-18(12-4-2-3-11(15)16-12)17-13(19)9-5-7-10(14)8-6-9/h2-8H,1H3,(H,17,19)
InChIKeyCRAQKAYFXPOZLG-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.17
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 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
The IUPAC name of 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide (CID 1482390) is 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide is CN(NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)n1.
What is the InChIKey of 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
The InChIKey is CRAQKAYFXPOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-18(12-4-2-3-11(15)16-12)17-13(19)9-5-7-10(14)8-6-9/h2-8H,1H3,(H,17,19).
What are the key properties of 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide?
4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide has a molecular weight of 296.16 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(6-chloro-2-pyridinyl)-N'-methylbenzohydrazide is sourced from PubChem (CID 1482390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).