3-amino-1,3-dichloro-2H-naphthalen-2-ol

C10H9Cl2NO — CID 88723462

IUPAC3-amino-1,3-dichloro-2H-naphthalen-2-ol
SMILESNC1(Cl)C=c2ccccc2=C(Cl)C1O
InChIInChI=1S/C10H9Cl2NO/c11-8-7-4-2-1-3-6(7)5-10(12,13)9(8)14/h1-5,9,14H,13H2
InChIKeyLBJKQMYSNZIDIR-UHFFFAOYSA-N
MW230.09 g/mol
LogP0.08
Rot. Bonds

About 3-amino-1,3-dichloro-2H-naphthalen-2-ol

3-amino-1,3-dichloro-2H-naphthalen-2-ol (PubChem CID 88723462) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-amino-1,3-dichloro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name3-amino-1,3-dichloro-2H-naphthalen-2-ol
PubChem CID88723462
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name3-amino-1,3-dichloro-2H-naphthalen-2-ol
SMILESNC1(Cl)C=c2ccccc2=C(Cl)C1O
InChIInChI=1S/C10H9Cl2NO/c11-8-7-4-2-1-3-6(7)5-10(12,13)9(8)14/h1-5,9,14H,13H2
InChIKeyLBJKQMYSNZIDIR-UHFFFAOYSA-N
XLogP0.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,3-dichloro-2H-naphthalen-2-ol?
The IUPAC name of 3-amino-1,3-dichloro-2H-naphthalen-2-ol (CID 88723462) is 3-amino-1,3-dichloro-2H-naphthalen-2-ol.
What is the SMILES notation for 3-amino-1,3-dichloro-2H-naphthalen-2-ol?
The canonical SMILES for 3-amino-1,3-dichloro-2H-naphthalen-2-ol is NC1(Cl)C=c2ccccc2=C(Cl)C1O.
What is the InChIKey of 3-amino-1,3-dichloro-2H-naphthalen-2-ol?
The InChIKey is LBJKQMYSNZIDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-8-7-4-2-1-3-6(7)5-10(12,13)9(8)14/h1-5,9,14H,13H2.
What are the key properties of 3-amino-1,3-dichloro-2H-naphthalen-2-ol?
3-amino-1,3-dichloro-2H-naphthalen-2-ol has a molecular weight of 230.09 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,3-dichloro-2H-naphthalen-2-ol is sourced from PubChem (CID 88723462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).