5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine

C14H12Br2N10 — CID 138958199

IUPAC5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine
SMILESCn1nnc(-c2ccc(Br)cn2)n1.Cn1nnnc1-c1ccc(Br)cn1
InChIInChI=1S/2C7H6BrN5/c1-13-7(10-11-12-13)6-3-2-5(8)4-9-6;1-13-11-7(10-12-13)6-3-2-5(8)4-9-6/h2*2-4H,1H3
InChIKeyBHUJEUHWADNRGK-UHFFFAOYSA-N
MW480.13 g/mol
LogP2.07
Rot. Bonds2

About 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine

5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine (PubChem CID 138958199) has the molecular formula C14H12Br2N10 and a molecular weight of 480.13 g/mol. Its IUPAC name is 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine
PubChem CID138958199
Molecular FormulaC14H12Br2N10
Molecular Weight480.13 g/mol
Exact Mass477.96
IUPAC Name5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine
SMILESCn1nnc(-c2ccc(Br)cn2)n1.Cn1nnnc1-c1ccc(Br)cn1
InChIInChI=1S/2C7H6BrN5/c1-13-7(10-11-12-13)6-3-2-5(8)4-9-6;1-13-11-7(10-12-13)6-3-2-5(8)4-9-6/h2*2-4H,1H3
InChIKeyBHUJEUHWADNRGK-UHFFFAOYSA-N
XLogP2.07
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine?
The IUPAC name of 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine (CID 138958199) is 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine is Cn1nnc(-c2ccc(Br)cn2)n1.Cn1nnnc1-c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine?
The InChIKey is BHUJEUHWADNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6BrN5/c1-13-7(10-11-12-13)6-3-2-5(8)4-9-6;1-13-11-7(10-12-13)6-3-2-5(8)4-9-6/h2*2-4H,1H3.
What are the key properties of 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine?
5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine has a molecular weight of 480.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methyltetrazol-5-yl)pyridine;5-bromo-2-(2-methyltetrazol-5-yl)pyridine is sourced from PubChem (CID 138958199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).