2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine

C20H14BrClN8 — CID 159905303

IUPAC2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine
SMILESBrc1ncn(-c2ccccn2)n1.Clc1cccc(-c2ncn(-c3ccccn3)n2)c1
InChIInChI=1S/C13H9ClN4.C7H5BrN4/c14-11-5-3-4-10(8-11)13-16-9-18(17-13)12-6-1-2-7-15-12;8-7-10-5-12(11-7)6-3-1-2-4-9-6/h1-9H;1-5H
InChIKeyNWMNXEFUZXJIAL-UHFFFAOYSA-N
MW481.75 g/mol
LogP4.41
Rot. Bonds3

About 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine

2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 159905303) has the molecular formula C20H14BrClN8 and a molecular weight of 481.75 g/mol. Its IUPAC name is 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID159905303
Molecular FormulaC20H14BrClN8
Molecular Weight481.75 g/mol
Exact Mass480.02
IUPAC Name2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine
SMILESBrc1ncn(-c2ccccn2)n1.Clc1cccc(-c2ncn(-c3ccccn3)n2)c1
InChIInChI=1S/C13H9ClN4.C7H5BrN4/c14-11-5-3-4-10(8-11)13-16-9-18(17-13)12-6-1-2-7-15-12;8-7-10-5-12(11-7)6-3-1-2-4-9-6/h1-9H;1-5H
InChIKeyNWMNXEFUZXJIAL-UHFFFAOYSA-N
XLogP4.41
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 135429673
2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328999
2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328957
[5-(3-chlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-(1-pyridin-2-yl-1,2,4-triazol-3-yl)methanone
CID 153470628
3-(1-pyrimidin-4-yl-1,2,4-triazol-3-yl)aniline
CID 113384297
(E)-3-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enal
CID 88906657
2-[3-[3-(3-phenylphenyl)phenyl]pyrazol-1-yl]pyridine
CID 172854391
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110330822
2-(tetrazol-1-yl)pyridine
CID 11679840
2-(3-chlorophenyl)-3-pyridin-2-ylpyridine
CID 90094366
2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135366

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine (CID 159905303) is 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine is Brc1ncn(-c2ccccn2)n1.Clc1cccc(-c2ncn(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is NWMNXEFUZXJIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4.C7H5BrN4/c14-11-5-3-4-10(8-11)13-16-9-18(17-13)12-6-1-2-7-15-12;8-7-10-5-12(11-7)6-3-1-2-4-9-6/h1-9H;1-5H.
What are the key properties of 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine?
2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 481.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,2,4-triazol-1-yl)pyridine;2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 159905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).