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

C12H8BrN5 — CID 73213040

IUPAC3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine
SMILESBrc1cccc(-n2nnc(-c3cccnc3)n2)c1
InChIInChI=1S/C12H8BrN5/c13-10-4-1-5-11(7-10)18-16-12(15-17-18)9-3-2-6-14-8-9/h1-8H
InChIKeySYMUXGBCDODEDB-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.49
Rot. Bonds2

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

3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine (PubChem CID 73213040) has the molecular formula C12H8BrN5 and a molecular weight of 302.14 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine
PubChem CID73213040
Molecular FormulaC12H8BrN5
Molecular Weight302.14 g/mol
Exact Mass301.00
IUPAC Name3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine
SMILESBrc1cccc(-n2nnc(-c3cccnc3)n2)c1
InChIInChI=1S/C12H8BrN5/c13-10-4-1-5-11(7-10)18-16-12(15-17-18)9-3-2-6-14-8-9/h1-8H
InChIKeySYMUXGBCDODEDB-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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Related Compounds

but-2-enedioic acid;3-(2-pyridin-3-yltetrazol-5-yl)pyridine
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CID 110887951
5-(4-bromophenyl)-2-phenyltetrazole
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5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
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3-(5-phenyltetrazol-2-yl)benzoic acid
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2-pyridin-3-yl-5-(5-pyridin-2-yltetrazol-2-yl)pyridine
CID 10149553
3-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 918282
2-methyl-3-(2-pyridin-3-yltetrazol-5-yl)pyridine
CID 53244409
3-(2,6-dibromophenyl)pyridine
CID 76539776
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
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cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine (CID 73213040) is 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine is Brc1cccc(-n2nnc(-c3cccnc3)n2)c1.
What is the InChIKey of 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine?
The InChIKey is SYMUXGBCDODEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5/c13-10-4-1-5-11(7-10)18-16-12(15-17-18)9-3-2-6-14-8-9/h1-8H.
What are the key properties of 3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine?
3-[2-(3-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-[2-(3-bromophenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 73213040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).