3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine

C12H8BrN5 — CID 155526895

IUPAC3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine
SMILESBrc1ccc(-n2nnnc2-c2cccnc2)cc1
InChIInChI=1S/C12H8BrN5/c13-10-3-5-11(6-4-10)18-12(15-16-17-18)9-2-1-7-14-8-9/h1-8H
InChIKeyFVWKREBUFFDLTA-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.49
Rot. Bonds2

About 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine

3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine (PubChem CID 155526895) has the molecular formula C12H8BrN5 and a molecular weight of 302.14 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine
PubChem CID155526895
Molecular FormulaC12H8BrN5
Molecular Weight302.14 g/mol
Exact Mass301.00
IUPAC Name3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine
SMILESBrc1ccc(-n2nnnc2-c2cccnc2)cc1
InChIInChI=1S/C12H8BrN5/c13-10-3-5-11(6-4-10)18-12(15-16-17-18)9-2-1-7-14-8-9/h1-8H
InChIKeyFVWKREBUFFDLTA-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 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine (CID 155526895) is 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine is Brc1ccc(-n2nnnc2-c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine?
The InChIKey is FVWKREBUFFDLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5/c13-10-3-5-11(6-4-10)18-12(15-16-17-18)9-2-1-7-14-8-9/h1-8H.
What are the key properties of 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine?
3-[1-(4-bromophenyl)tetrazol-5-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 3-[1-(4-bromophenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 155526895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).