5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline

C10H6Br3N — CID 10643715

IUPAC5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline
SMILES[2H]c1c([2H])c([2H])c2nc(C(Br)(Br)Br)ccc2c1[2H]
InChIInChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H/i1D,2D,3D,4D
InChIKeyUDYYQHILRSDDMP-RHQRLBAQSA-N
MW383.90 g/mol
LogP4.53
Rot. Bonds

About 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline

5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline (PubChem CID 10643715) has the molecular formula C10H6Br3N and a molecular weight of 383.90 g/mol. Its IUPAC name is 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline.

Molecular Properties

Compound Name5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline
PubChem CID10643715
Molecular FormulaC10H6Br3N
Molecular Weight383.90 g/mol
Exact Mass380.83
IUPAC Name5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline
SMILES[2H]c1c([2H])c([2H])c2nc(C(Br)(Br)Br)ccc2c1[2H]
InChIInChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H/i1D,2D,3D,4D
InChIKeyUDYYQHILRSDDMP-RHQRLBAQSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(tribromomethyl)quinoline
CID 59321582
3,4,5,6,7,8-hexadeuterio-2-(3,4,5,6,7,8-hexadeuterioquinolin-2-yl)quinoline
CID 102271519
4-deuterio-2,6-bis(trifluoromethyl)pyridine
CID 175919403
2,3,4-trideuterioquinoline
CID 20628621
1,2,3,4-tetradeuterioanthracene
CID 141245639
6-fluoro-2-(trifluoromethyl)quinoline
CID 11074775
2-(trifluoromethyl)quinolin-7-ol
CID 135463587
2-(trifluoromethyl)quinoline-6,7-diol
CID 135735543
7-chloro-2-(trifluoromethyl)quinoline
CID 11031724
2-bromo-1,3,4,5,6,7,8-heptadeuterionaphthalene
CID 89310078
2,4,5,6-tetradeuterio-1,3-benzothiazole
CID 71776398
2-tert-butylquinoline;methane
CID 164995315

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline?
The IUPAC name of 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline (CID 10643715) is 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline.
What is the SMILES notation for 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline?
The canonical SMILES for 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline is [2H]c1c([2H])c([2H])c2nc(C(Br)(Br)Br)ccc2c1[2H].
What is the InChIKey of 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline?
The InChIKey is UDYYQHILRSDDMP-RHQRLBAQSA-N. The full InChI is InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H/i1D,2D,3D,4D.
What are the key properties of 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline?
5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline has a molecular weight of 383.90 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetradeuterio-2-(tribromomethyl)quinoline is sourced from PubChem (CID 10643715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).