8-chloronaphthalene-1-carbohydrazide

C11H9ClN2O — CID 176640638

IUPAC8-chloronaphthalene-1-carbohydrazide
SMILESNNC(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C11H9ClN2O/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyRZLWBKXKYQPDDE-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.10
Rot. Bonds1

About 8-chloronaphthalene-1-carbohydrazide

8-chloronaphthalene-1-carbohydrazide (PubChem CID 176640638) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 8-chloronaphthalene-1-carbohydrazide.

Molecular Properties

Compound Name8-chloronaphthalene-1-carbohydrazide
PubChem CID176640638
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name8-chloronaphthalene-1-carbohydrazide
SMILESNNC(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C11H9ClN2O/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyRZLWBKXKYQPDDE-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 8-chloronaphthalene-1-carbohydrazide?
The IUPAC name of 8-chloronaphthalene-1-carbohydrazide (CID 176640638) is 8-chloronaphthalene-1-carbohydrazide.
What is the SMILES notation for 8-chloronaphthalene-1-carbohydrazide?
The canonical SMILES for 8-chloronaphthalene-1-carbohydrazide is NNC(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloronaphthalene-1-carbohydrazide?
The InChIKey is RZLWBKXKYQPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(15)14-13/h1-6H,13H2,(H,14,15).
What are the key properties of 8-chloronaphthalene-1-carbohydrazide?
8-chloronaphthalene-1-carbohydrazide has a molecular weight of 220.66 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloronaphthalene-1-carbohydrazide is sourced from PubChem (CID 176640638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).