3-(4-bromophenyl)-5-pyrazol-1-ylpyridine

C14H10BrN3 — CID 167770873

IUPAC3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
SMILESBrc1ccc(-c2cncc(-n3cccn3)c2)cc1
InChIInChI=1S/C14H10BrN3/c15-13-4-2-11(3-5-13)12-8-14(10-16-9-12)18-7-1-6-17-18/h1-10H
InChIKeyVMNUVMHTBVFSPM-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.70
Rot. Bonds2

About 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine

3-(4-bromophenyl)-5-pyrazol-1-ylpyridine (PubChem CID 167770873) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
PubChem CID167770873
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
SMILESBrc1ccc(-c2cncc(-n3cccn3)c2)cc1
InChIInChI=1S/C14H10BrN3/c15-13-4-2-11(3-5-13)12-8-14(10-16-9-12)18-7-1-6-17-18/h1-10H
InChIKeyVMNUVMHTBVFSPM-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine?
The IUPAC name of 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine (CID 167770873) is 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine.
What is the SMILES notation for 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine?
The canonical SMILES for 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine is Brc1ccc(-c2cncc(-n3cccn3)c2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine?
The InChIKey is VMNUVMHTBVFSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-13-4-2-11(3-5-13)12-8-14(10-16-9-12)18-7-1-6-17-18/h1-10H.
What are the key properties of 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine?
3-(4-bromophenyl)-5-pyrazol-1-ylpyridine has a molecular weight of 300.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-pyrazol-1-ylpyridine is sourced from PubChem (CID 167770873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).