2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C13H9BrN4 — CID 11522294

IUPAC2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESBrc1cc(-c2cn[nH]c2-c2ccccn2)ccn1
InChIInChI=1S/C13H9BrN4/c14-12-7-9(4-6-16-12)10-8-17-18-13(10)11-3-1-2-5-15-11/h1-8H,(H,17,18)
InChIKeyNLOUUZVEXCPGQL-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 11522294) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID11522294
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC Name2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESBrc1cc(-c2cn[nH]c2-c2ccccn2)ccn1
InChIInChI=1S/C13H9BrN4/c14-12-7-9(4-6-16-12)10-8-17-18-13(10)11-3-1-2-5-15-11/h1-8H,(H,17,18)
InChIKeyNLOUUZVEXCPGQL-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,2-benzoxazole
CID 10244433
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine
CID 10274522
6-(5-pyridin-2-yl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 23537380
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 10112112
2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 54219952
N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide
CID 11626023
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
CID 10159518
2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
CID 10841592
6-(2-bromo-4-pyridinyl)-3-fluoro-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine
CID 162687441
2-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
CID 141095132
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 11522294) is 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is Brc1cc(-c2cn[nH]c2-c2ccccn2)ccn1.
What is the InChIKey of 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is NLOUUZVEXCPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-12-7-9(4-6-16-12)10-8-17-18-13(10)11-3-1-2-5-15-11/h1-8H,(H,17,18).
What are the key properties of 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 301.15 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 11522294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).