4-amino-5,6-dichloronaphthalen-2-ol

C10H7Cl2NO — CID 171656642

IUPAC4-amino-5,6-dichloronaphthalen-2-ol
SMILESNc1cc(O)cc2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H7Cl2NO/c11-7-2-1-5-3-6(14)4-8(13)9(5)10(7)12/h1-4,14H,13H2
InChIKeyCBSWPVAAHAOICK-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.43
Rot. Bonds

About 4-amino-5,6-dichloronaphthalen-2-ol

4-amino-5,6-dichloronaphthalen-2-ol (PubChem CID 171656642) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-amino-5,6-dichloronaphthalen-2-ol.

Molecular Properties

Compound Name4-amino-5,6-dichloronaphthalen-2-ol
PubChem CID171656642
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name4-amino-5,6-dichloronaphthalen-2-ol
SMILESNc1cc(O)cc2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H7Cl2NO/c11-7-2-1-5-3-6(14)4-8(13)9(5)10(7)12/h1-4,14H,13H2
InChIKeyCBSWPVAAHAOICK-UHFFFAOYSA-N
XLogP3.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,6-dichloronaphthalen-2-ol?
The IUPAC name of 4-amino-5,6-dichloronaphthalen-2-ol (CID 171656642) is 4-amino-5,6-dichloronaphthalen-2-ol.
What is the SMILES notation for 4-amino-5,6-dichloronaphthalen-2-ol?
The canonical SMILES for 4-amino-5,6-dichloronaphthalen-2-ol is Nc1cc(O)cc2ccc(Cl)c(Cl)c12.
What is the InChIKey of 4-amino-5,6-dichloronaphthalen-2-ol?
The InChIKey is CBSWPVAAHAOICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-7-2-1-5-3-6(14)4-8(13)9(5)10(7)12/h1-4,14H,13H2.
What are the key properties of 4-amino-5,6-dichloronaphthalen-2-ol?
4-amino-5,6-dichloronaphthalen-2-ol has a molecular weight of 228.08 g/mol, XLogP of 3.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-dichloronaphthalen-2-ol is sourced from PubChem (CID 171656642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).