5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole

C11H7Br2N5 — CID 19975769

IUPAC5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole
SMILESBrc1cc(Br)n(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C11H7Br2N5/c12-8-6-9(13)18(7-4-2-1-3-5-7)10(8)11-14-16-17-15-11/h1-6H,(H,14,15,16,17)
InChIKeyWNOJIAYZNPHYHY-UHFFFAOYSA-N
MW369.02 g/mol
LogP3.18
Rot. Bonds2

About 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole

5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole (PubChem CID 19975769) has the molecular formula C11H7Br2N5 and a molecular weight of 369.02 g/mol. Its IUPAC name is 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole
PubChem CID19975769
Molecular FormulaC11H7Br2N5
Molecular Weight369.02 g/mol
Exact Mass366.91
IUPAC Name5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole
SMILESBrc1cc(Br)n(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C11H7Br2N5/c12-8-6-9(13)18(7-4-2-1-3-5-7)10(8)11-14-16-17-15-11/h1-6H,(H,14,15,16,17)
InChIKeyWNOJIAYZNPHYHY-UHFFFAOYSA-N
XLogP3.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole?
The IUPAC name of 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole (CID 19975769) is 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole is Brc1cc(Br)n(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole?
The InChIKey is WNOJIAYZNPHYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N5/c12-8-6-9(13)18(7-4-2-1-3-5-7)10(8)11-14-16-17-15-11/h1-6H,(H,14,15,16,17).
What are the key properties of 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole?
5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole has a molecular weight of 369.02 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromo-1-phenylpyrrol-2-yl)-2H-tetrazole is sourced from PubChem (CID 19975769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).