5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole

C9H5BrClN5 — CID 175557064

IUPAC5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole
SMILESClc1c(Br)ccc2[nH]cc(-c3nn[nH]n3)c12
InChIInChI=1S/C9H5BrClN5/c10-5-1-2-6-7(8(5)11)4(3-12-6)9-13-15-16-14-9/h1-3,12H,(H,13,14,15,16)
InChIKeyXPLWLTSLQXGYKE-UHFFFAOYSA-N
MW298.53 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole

5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole (PubChem CID 175557064) has the molecular formula C9H5BrClN5 and a molecular weight of 298.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole
PubChem CID175557064
Molecular FormulaC9H5BrClN5
Molecular Weight298.53 g/mol
Exact Mass296.94
IUPAC Name5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole
SMILESClc1c(Br)ccc2[nH]cc(-c3nn[nH]n3)c12
InChIInChI=1S/C9H5BrClN5/c10-5-1-2-6-7(8(5)11)4(3-12-6)9-13-15-16-14-9/h1-3,12H,(H,13,14,15,16)
InChIKeyXPLWLTSLQXGYKE-UHFFFAOYSA-N
XLogP2.76
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole?
The IUPAC name of 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole (CID 175557064) is 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole.
What is the SMILES notation for 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole?
The canonical SMILES for 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole is Clc1c(Br)ccc2[nH]cc(-c3nn[nH]n3)c12.
What is the InChIKey of 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole?
The InChIKey is XPLWLTSLQXGYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN5/c10-5-1-2-6-7(8(5)11)4(3-12-6)9-13-15-16-14-9/h1-3,12H,(H,13,14,15,16).
What are the key properties of 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole?
5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole has a molecular weight of 298.53 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-(2H-tetrazol-5-yl)-1H-indole is sourced from PubChem (CID 175557064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).