(3-iodo-4-methylphenyl)methylhydrazine

C8H11IN2 — CID 53402763

IUPAC(3-iodo-4-methylphenyl)methylhydrazine
SMILESCc1ccc(CNN)cc1I
InChIInChI=1S/C8H11IN2/c1-6-2-3-7(5-11-10)4-8(6)9/h2-4,11H,5,10H2,1H3
InChIKeyXHXJZDMCTASOJQ-UHFFFAOYSA-N
MW262.09 g/mol
LogP1.56
Rot. Bonds2

About (3-iodo-4-methylphenyl)methylhydrazine

(3-iodo-4-methylphenyl)methylhydrazine (PubChem CID 53402763) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is (3-iodo-4-methylphenyl)methylhydrazine.

Molecular Properties

Compound Name(3-iodo-4-methylphenyl)methylhydrazine
PubChem CID53402763
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name(3-iodo-4-methylphenyl)methylhydrazine
SMILESCc1ccc(CNN)cc1I
InChIInChI=1S/C8H11IN2/c1-6-2-3-7(5-11-10)4-8(6)9/h2-4,11H,5,10H2,1H3
InChIKeyXHXJZDMCTASOJQ-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 (3-iodo-4-methylphenyl)methylhydrazine?
The IUPAC name of (3-iodo-4-methylphenyl)methylhydrazine (CID 53402763) is (3-iodo-4-methylphenyl)methylhydrazine.
What is the SMILES notation for (3-iodo-4-methylphenyl)methylhydrazine?
The canonical SMILES for (3-iodo-4-methylphenyl)methylhydrazine is Cc1ccc(CNN)cc1I.
What is the InChIKey of (3-iodo-4-methylphenyl)methylhydrazine?
The InChIKey is XHXJZDMCTASOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-6-2-3-7(5-11-10)4-8(6)9/h2-4,11H,5,10H2,1H3.
What are the key properties of (3-iodo-4-methylphenyl)methylhydrazine?
(3-iodo-4-methylphenyl)methylhydrazine has a molecular weight of 262.09 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-4-methylphenyl)methylhydrazine is sourced from PubChem (CID 53402763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).