6,7-dichloronaphthalen-2-amine

C10H7Cl2N — CID 70123851

IUPAC6,7-dichloronaphthalen-2-amine
SMILESNc1ccc2cc(Cl)c(Cl)cc2c1
InChIInChI=1S/C10H7Cl2N/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h1-5H,13H2
InChIKeyHUJZLBIRUBZVGF-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.73
Rot. Bonds

About 6,7-dichloronaphthalen-2-amine

6,7-dichloronaphthalen-2-amine (PubChem CID 70123851) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 6,7-dichloronaphthalen-2-amine.

Molecular Properties

Compound Name6,7-dichloronaphthalen-2-amine
PubChem CID70123851
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name6,7-dichloronaphthalen-2-amine
SMILESNc1ccc2cc(Cl)c(Cl)cc2c1
InChIInChI=1S/C10H7Cl2N/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h1-5H,13H2
InChIKeyHUJZLBIRUBZVGF-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloronaphthalen-2-amine?
The IUPAC name of 6,7-dichloronaphthalen-2-amine (CID 70123851) is 6,7-dichloronaphthalen-2-amine.
What is the SMILES notation for 6,7-dichloronaphthalen-2-amine?
The canonical SMILES for 6,7-dichloronaphthalen-2-amine is Nc1ccc2cc(Cl)c(Cl)cc2c1.
What is the InChIKey of 6,7-dichloronaphthalen-2-amine?
The InChIKey is HUJZLBIRUBZVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h1-5H,13H2.
What are the key properties of 6,7-dichloronaphthalen-2-amine?
6,7-dichloronaphthalen-2-amine has a molecular weight of 212.08 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloronaphthalen-2-amine is sourced from PubChem (CID 70123851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).