N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine

C11H6Br5N — CID 52943423

IUPACN,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine
SMILESBrCc1cc(Br)c2cc(NBr)c(Br)cc2c1Br
InChIInChI=1S/C11H6Br5N/c12-4-5-1-8(13)6-3-10(17-16)9(14)2-7(6)11(5)15/h1-3,17H,4H2
InChIKeyBDGVJGLZXWPMBC-UHFFFAOYSA-N
MW551.70 g/mol
LogP6.74
Rot. Bonds2

About N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine

N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine (PubChem CID 52943423) has the molecular formula C11H6Br5N and a molecular weight of 551.70 g/mol. Its IUPAC name is N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine
PubChem CID52943423
Molecular FormulaC11H6Br5N
Molecular Weight551.70 g/mol
Exact Mass546.64
IUPAC NameN,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine
SMILESBrCc1cc(Br)c2cc(NBr)c(Br)cc2c1Br
InChIInChI=1S/C11H6Br5N/c12-4-5-1-8(13)6-3-10(17-16)9(14)2-7(6)11(5)15/h1-3,17H,4H2
InChIKeyBDGVJGLZXWPMBC-UHFFFAOYSA-N
XLogP6.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.70
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine?
The IUPAC name of N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine (CID 52943423) is N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine.
What is the SMILES notation for N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine?
The canonical SMILES for N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine is BrCc1cc(Br)c2cc(NBr)c(Br)cc2c1Br.
What is the InChIKey of N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine?
The InChIKey is BDGVJGLZXWPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br5N/c12-4-5-1-8(13)6-3-10(17-16)9(14)2-7(6)11(5)15/h1-3,17H,4H2.
What are the key properties of N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine?
N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine has a molecular weight of 551.70 g/mol, XLogP of 6.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5,8-tetrabromo-6-(bromomethyl)naphthalen-2-amine is sourced from PubChem (CID 52943423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).