6-bromo-7,8-dichloroquinolin-2-amine

C9H5BrCl2N2 — CID 107794242

IUPAC6-bromo-7,8-dichloroquinolin-2-amine
SMILESNc1ccc2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C9H5BrCl2N2/c10-5-3-4-1-2-6(13)14-9(4)8(12)7(5)11/h1-3H,(H2,13,14)
InChIKeyUKYINDDWAQCOFF-UHFFFAOYSA-N
MW291.96 g/mol
LogP3.89
Rot. Bonds

About 6-bromo-7,8-dichloroquinolin-2-amine

6-bromo-7,8-dichloroquinolin-2-amine (PubChem CID 107794242) has the molecular formula C9H5BrCl2N2 and a molecular weight of 291.96 g/mol. Its IUPAC name is 6-bromo-7,8-dichloroquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-7,8-dichloroquinolin-2-amine
PubChem CID107794242
Molecular FormulaC9H5BrCl2N2
Molecular Weight291.96 g/mol
Exact Mass289.90
IUPAC Name6-bromo-7,8-dichloroquinolin-2-amine
SMILESNc1ccc2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C9H5BrCl2N2/c10-5-3-4-1-2-6(13)14-9(4)8(12)7(5)11/h1-3H,(H2,13,14)
InChIKeyUKYINDDWAQCOFF-UHFFFAOYSA-N
XLogP3.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.96
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7,8-dichloroquinolin-2-amine?
The IUPAC name of 6-bromo-7,8-dichloroquinolin-2-amine (CID 107794242) is 6-bromo-7,8-dichloroquinolin-2-amine.
What is the SMILES notation for 6-bromo-7,8-dichloroquinolin-2-amine?
The canonical SMILES for 6-bromo-7,8-dichloroquinolin-2-amine is Nc1ccc2cc(Br)c(Cl)c(Cl)c2n1.
What is the InChIKey of 6-bromo-7,8-dichloroquinolin-2-amine?
The InChIKey is UKYINDDWAQCOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2/c10-5-3-4-1-2-6(13)14-9(4)8(12)7(5)11/h1-3H,(H2,13,14).
What are the key properties of 6-bromo-7,8-dichloroquinolin-2-amine?
6-bromo-7,8-dichloroquinolin-2-amine has a molecular weight of 291.96 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7,8-dichloroquinolin-2-amine is sourced from PubChem (CID 107794242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).