5-chloro-2-methoxybenzohydrazide

C8H9ClN2O2 — CID 853105

IUPAC5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NN
InChIInChI=1S/C8H9ClN2O2/c1-13-7-3-2-5(9)4-6(7)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyGNYCSXNVIRAAEC-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.95
Rot. Bonds2

About 5-chloro-2-methoxybenzohydrazide

5-chloro-2-methoxybenzohydrazide (PubChem CID 853105) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 5-chloro-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxybenzohydrazide
PubChem CID853105
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NN
InChIInChI=1S/C8H9ClN2O2/c1-13-7-3-2-5(9)4-6(7)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyGNYCSXNVIRAAEC-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-chloro-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-2-methoxybenzohydrazide (CID 853105) is 5-chloro-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NN.
What is the InChIKey of 5-chloro-2-methoxybenzohydrazide?
The InChIKey is GNYCSXNVIRAAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-7-3-2-5(9)4-6(7)8(12)11-10/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 5-chloro-2-methoxybenzohydrazide?
5-chloro-2-methoxybenzohydrazide has a molecular weight of 200.63 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxybenzohydrazide is sourced from PubChem (CID 853105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).