2-(hydrazinylmethyl)phenol;hydrochloride

C7H11ClN2O — CID 67281416

IUPAC2-(hydrazinylmethyl)phenol;hydrochloride
SMILESCl.NNCc1ccccc1O
InChIInChI=1S/C7H10N2O.ClH/c8-9-5-6-3-1-2-4-7(6)10;/h1-4,9-10H,5,8H2;1H
InChIKeyWQJFEEQMVLOVHE-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.78
Rot. Bonds2

About 2-(hydrazinylmethyl)phenol;hydrochloride

2-(hydrazinylmethyl)phenol;hydrochloride (PubChem CID 67281416) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-(hydrazinylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(hydrazinylmethyl)phenol;hydrochloride
PubChem CID67281416
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-(hydrazinylmethyl)phenol;hydrochloride
SMILESCl.NNCc1ccccc1O
InChIInChI=1S/C7H10N2O.ClH/c8-9-5-6-3-1-2-4-7(6)10;/h1-4,9-10H,5,8H2;1H
InChIKeyWQJFEEQMVLOVHE-UHFFFAOYSA-N
XLogP0.78
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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 2-(hydrazinylmethyl)phenol;hydrochloride?
The IUPAC name of 2-(hydrazinylmethyl)phenol;hydrochloride (CID 67281416) is 2-(hydrazinylmethyl)phenol;hydrochloride.
What is the SMILES notation for 2-(hydrazinylmethyl)phenol;hydrochloride?
The canonical SMILES for 2-(hydrazinylmethyl)phenol;hydrochloride is Cl.NNCc1ccccc1O.
What is the InChIKey of 2-(hydrazinylmethyl)phenol;hydrochloride?
The InChIKey is WQJFEEQMVLOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c8-9-5-6-3-1-2-4-7(6)10;/h1-4,9-10H,5,8H2;1H.
What are the key properties of 2-(hydrazinylmethyl)phenol;hydrochloride?
2-(hydrazinylmethyl)phenol;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinylmethyl)phenol;hydrochloride is sourced from PubChem (CID 67281416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).