2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine

C12H8BrN5 — CID 155550090

IUPAC2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine
SMILESBrc1cccc(-c2nnnn2-c2ccccn2)c1
InChIInChI=1S/C12H8BrN5/c13-10-5-3-4-9(8-10)12-15-16-17-18(12)11-6-1-2-7-14-11/h1-8H
InChIKeyGXTSZSVGELUXJR-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.49
Rot. Bonds2

About 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine

2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine (PubChem CID 155550090) has the molecular formula C12H8BrN5 and a molecular weight of 302.14 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine
PubChem CID155550090
Molecular FormulaC12H8BrN5
Molecular Weight302.14 g/mol
Exact Mass301.00
IUPAC Name2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine
SMILESBrc1cccc(-c2nnnn2-c2ccccn2)c1
InChIInChI=1S/C12H8BrN5/c13-10-5-3-4-9(8-10)12-15-16-17-18(12)11-6-1-2-7-14-11/h1-8H
InChIKeyGXTSZSVGELUXJR-UHFFFAOYSA-N
XLogP2.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine?
The IUPAC name of 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine (CID 155550090) is 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine is Brc1cccc(-c2nnnn2-c2ccccn2)c1.
What is the InChIKey of 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine?
The InChIKey is GXTSZSVGELUXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5/c13-10-5-3-4-9(8-10)12-15-16-17-18(12)11-6-1-2-7-14-11/h1-8H.
What are the key properties of 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine?
2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine has a molecular weight of 302.14 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)tetrazol-1-yl]pyridine is sourced from PubChem (CID 155550090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).