2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine

C14H12BrN5 — CID 30176128

IUPAC2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
SMILESBrc1ccc(-c2nnn(CCc3ccccn3)n2)cc1
InChIInChI=1S/C14H12BrN5/c15-12-6-4-11(5-7-12)14-17-19-20(18-14)10-8-13-3-1-2-9-16-13/h1-7,9H,8,10H2
InChIKeyBGQDWVLQVFAYTH-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine

2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine (PubChem CID 30176128) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
PubChem CID30176128
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
SMILESBrc1ccc(-c2nnn(CCc3ccccn3)n2)cc1
InChIInChI=1S/C14H12BrN5/c15-12-6-4-11(5-7-12)14-17-19-20(18-14)10-8-13-3-1-2-9-16-13/h1-7,9H,8,10H2
InChIKeyBGQDWVLQVFAYTH-UHFFFAOYSA-N
XLogP2.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23723014
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CID 1215208
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CID 16066488
CID 16066488
CID 16066593
CID 16066593
CID 16066596
CID 16066596
CID 16066652
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CID 13714299
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CID 82566416
CID 82566416
CID 16763011
CID 16763011
CID 9574329
CID 9574329

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine (CID 30176128) is 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine is Brc1ccc(-c2nnn(CCc3ccccn3)n2)cc1.
What is the InChIKey of 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine?
The InChIKey is BGQDWVLQVFAYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c15-12-6-4-11(5-7-12)14-17-19-20(18-14)10-8-13-3-1-2-9-16-13/h1-7,9H,8,10H2.
What are the key properties of 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine?
2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine has a molecular weight of 330.19 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine is sourced from PubChem (CID 30176128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).