(6-bromoindazol-1-yl)thallium

C7H4BrN2Tl — CID 165138611

IUPAC(6-bromoindazol-1-yl)thallium
SMILESBrc1ccc2cnn([Tl])c2c1
InChIInChI=1S/C7H4BrN2.Tl/c8-6-2-1-5-4-9-10-7(5)3-6;/h1-4H;/q-1;+1
InChIKeyQSSREVCETJKCRW-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.73
Rot. Bonds

About (6-bromoindazol-1-yl)thallium

(6-bromoindazol-1-yl)thallium (PubChem CID 165138611) has the molecular formula C7H4BrN2Tl and a molecular weight of 400.41 g/mol. Its IUPAC name is (6-bromoindazol-1-yl)thallium.

Molecular Properties

Compound Name(6-bromoindazol-1-yl)thallium
PubChem CID165138611
Molecular FormulaC7H4BrN2Tl
Molecular Weight400.41 g/mol
Exact Mass399.93
IUPAC Name(6-bromoindazol-1-yl)thallium
SMILESBrc1ccc2cnn([Tl])c2c1
InChIInChI=1S/C7H4BrN2.Tl/c8-6-2-1-5-4-9-10-7(5)3-6;/h1-4H;/q-1;+1
InChIKeyQSSREVCETJKCRW-UHFFFAOYSA-N
XLogP1.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118664660
6-bromo-1-(3-methylphenyl)indazole
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CID 169236482
2,6-dibromonaphthalene
CID 640591
6-bromo-N'-(3-hydroxyprop-1-en-2-yl)-N-methylideneindazole-1-carboximidamide
CID 118670630
5-bromo-1-methylsulfonylindazole
CID 167427897
1-(5-bromoindazol-1-yl)ethanone
CID 15278610
azane;6-bromophthalazine
CID 87747021
5-bromo-1-(oxetan-3-ylmethyl)indazole
CID 166147252
7-bromophenanthrene-2-carbonitrile
CID 129104826
6-bromo-2-methylphthalazin-1-one
CID 71562940
3,7-dibromoisoquinoline
CID 121231774

Frequently Asked Questions

What is the IUPAC name of (6-bromoindazol-1-yl)thallium?
The IUPAC name of (6-bromoindazol-1-yl)thallium (CID 165138611) is (6-bromoindazol-1-yl)thallium.
What is the SMILES notation for (6-bromoindazol-1-yl)thallium?
The canonical SMILES for (6-bromoindazol-1-yl)thallium is Brc1ccc2cnn([Tl])c2c1.
What is the InChIKey of (6-bromoindazol-1-yl)thallium?
The InChIKey is QSSREVCETJKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN2.Tl/c8-6-2-1-5-4-9-10-7(5)3-6;/h1-4H;/q-1;+1.
What are the key properties of (6-bromoindazol-1-yl)thallium?
(6-bromoindazol-1-yl)thallium has a molecular weight of 400.41 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoindazol-1-yl)thallium is sourced from PubChem (CID 165138611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).