3-bromo-5-(5-ethyltetrazol-1-yl)pyridine

C8H8BrN5 — CID 130487263

IUPAC3-bromo-5-(5-ethyltetrazol-1-yl)pyridine
SMILESCCc1nnnn1-c1cncc(Br)c1
InChIInChI=1S/C8H8BrN5/c1-2-8-11-12-13-14(8)7-3-6(9)4-10-5-7/h3-5H,2H2,1H3
InChIKeyQUXYNZPXDZHHGT-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.38
Rot. Bonds2

About 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine

3-bromo-5-(5-ethyltetrazol-1-yl)pyridine (PubChem CID 130487263) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(5-ethyltetrazol-1-yl)pyridine
PubChem CID130487263
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name3-bromo-5-(5-ethyltetrazol-1-yl)pyridine
SMILESCCc1nnnn1-c1cncc(Br)c1
InChIInChI=1S/C8H8BrN5/c1-2-8-11-12-13-14(8)7-3-6(9)4-10-5-7/h3-5H,2H2,1H3
InChIKeyQUXYNZPXDZHHGT-UHFFFAOYSA-N
XLogP1.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine (CID 130487263) is 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine is CCc1nnnn1-c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine?
The InChIKey is QUXYNZPXDZHHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c1-2-8-11-12-13-14(8)7-3-6(9)4-10-5-7/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine?
3-bromo-5-(5-ethyltetrazol-1-yl)pyridine has a molecular weight of 254.09 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-ethyltetrazol-1-yl)pyridine is sourced from PubChem (CID 130487263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).