2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

C14H11BrN4 — CID 57493352

IUPAC2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCc1nnc(-c2ccccn2)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4/c1-10-17-18-14(13-4-2-3-9-16-13)19(10)12-7-5-11(15)6-8-12/h2-9H,1H3
InChIKeyQVLGRSWJZIYFLV-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.40
Rot. Bonds2

About 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 57493352) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID57493352
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCc1nnc(-c2ccccn2)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4/c1-10-17-18-14(13-4-2-3-9-16-13)19(10)12-7-5-11(15)6-8-12/h2-9H,1H3
InChIKeyQVLGRSWJZIYFLV-UHFFFAOYSA-N
XLogP3.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (CID 57493352) is 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is Cc1nnc(-c2ccccn2)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is QVLGRSWJZIYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-10-17-18-14(13-4-2-3-9-16-13)19(10)12-7-5-11(15)6-8-12/h2-9H,1H3.
What are the key properties of 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 315.17 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 57493352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).