2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine

C19H14BrN5 — CID 163755656

IUPAC2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(Br)ccc1-c1nnc(-c2ccccn2)n1-c1ccncc1
InChIInChI=1S/C19H14BrN5/c1-13-12-14(20)5-6-16(13)18-23-24-19(17-4-2-3-9-22-17)25(18)15-7-10-21-11-8-15/h2-12H,1H3
InChIKeyLTUYQDZNSITFLD-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.46
Rot. Bonds3

About 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine

2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine (PubChem CID 163755656) has the molecular formula C19H14BrN5 and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
PubChem CID163755656
Molecular FormulaC19H14BrN5
Molecular Weight392.26 g/mol
Exact Mass391.04
IUPAC Name2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(Br)ccc1-c1nnc(-c2ccccn2)n1-c1ccncc1
InChIInChI=1S/C19H14BrN5/c1-13-12-14(20)5-6-16(13)18-23-24-19(17-4-2-3-9-22-17)25(18)15-7-10-21-11-8-15/h2-12H,1H3
InChIKeyLTUYQDZNSITFLD-UHFFFAOYSA-N
XLogP4.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine (CID 163755656) is 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine is Cc1cc(Br)ccc1-c1nnc(-c2ccccn2)n1-c1ccncc1.
What is the InChIKey of 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is LTUYQDZNSITFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5/c1-13-12-14(20)5-6-16(13)18-23-24-19(17-4-2-3-9-22-17)25(18)15-7-10-21-11-8-15/h2-12H,1H3.
What are the key properties of 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 392.26 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromo-2-methylphenyl)-4-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 163755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).