5-amino-8-bromonaphthalen-2-ol

C10H8BrNO — CID 162686378

IUPAC5-amino-8-bromonaphthalen-2-ol
SMILESNc1ccc(Br)c2cc(O)ccc12
InChIInChI=1S/C10H8BrNO/c11-9-3-4-10(12)7-2-1-6(13)5-8(7)9/h1-5,13H,12H2
InChIKeyYEDZBEKCWGKUGJ-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.89
Rot. Bonds

About 5-amino-8-bromonaphthalen-2-ol

5-amino-8-bromonaphthalen-2-ol (PubChem CID 162686378) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 5-amino-8-bromonaphthalen-2-ol.

Molecular Properties

Compound Name5-amino-8-bromonaphthalen-2-ol
PubChem CID162686378
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name5-amino-8-bromonaphthalen-2-ol
SMILESNc1ccc(Br)c2cc(O)ccc12
InChIInChI=1S/C10H8BrNO/c11-9-3-4-10(12)7-2-1-6(13)5-8(7)9/h1-5,13H,12H2
InChIKeyYEDZBEKCWGKUGJ-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.89
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 5-amino-8-bromonaphthalen-2-ol?
The IUPAC name of 5-amino-8-bromonaphthalen-2-ol (CID 162686378) is 5-amino-8-bromonaphthalen-2-ol.
What is the SMILES notation for 5-amino-8-bromonaphthalen-2-ol?
The canonical SMILES for 5-amino-8-bromonaphthalen-2-ol is Nc1ccc(Br)c2cc(O)ccc12.
What is the InChIKey of 5-amino-8-bromonaphthalen-2-ol?
The InChIKey is YEDZBEKCWGKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-9-3-4-10(12)7-2-1-6(13)5-8(7)9/h1-5,13H,12H2.
What are the key properties of 5-amino-8-bromonaphthalen-2-ol?
5-amino-8-bromonaphthalen-2-ol has a molecular weight of 238.08 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-bromonaphthalen-2-ol is sourced from PubChem (CID 162686378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).