2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine

C14H11BrN4 — CID 15957267

IUPAC2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2nc(-c3ccccc3Br)n[nH]2)n1
InChIInChI=1S/C14H11BrN4/c1-9-5-4-8-12(16-9)14-17-13(18-19-14)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18,19)
InChIKeyHPXOOIZTADYVBM-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.60
Rot. Bonds2

About 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine

2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine (PubChem CID 15957267) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
PubChem CID15957267
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2nc(-c3ccccc3Br)n[nH]2)n1
InChIInChI=1S/C14H11BrN4/c1-9-5-4-8-12(16-9)14-17-13(18-19-14)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18,19)
InChIKeyHPXOOIZTADYVBM-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine (CID 15957267) is 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine is Cc1cccc(-c2nc(-c3ccccc3Br)n[nH]2)n1.
What is the InChIKey of 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
The InChIKey is HPXOOIZTADYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-9-5-4-8-12(16-9)14-17-13(18-19-14)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine?
2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine has a molecular weight of 315.17 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 15957267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).