2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine

C15H12BrN3O — CID 118126969

IUPAC2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine
SMILESBrc1ccc(COc2ccnn2-c2ccccn2)cc1
InChIInChI=1S/C15H12BrN3O/c16-13-6-4-12(5-7-13)11-20-15-8-10-18-19(15)14-3-1-2-9-17-14/h1-10H,11H2
InChIKeyCRSGIBUMOOUGJL-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.61
Rot. Bonds4

About 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine

2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine (PubChem CID 118126969) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine
PubChem CID118126969
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine
SMILESBrc1ccc(COc2ccnn2-c2ccccn2)cc1
InChIInChI=1S/C15H12BrN3O/c16-13-6-4-12(5-7-13)11-20-15-8-10-18-19(15)14-3-1-2-9-17-14/h1-10H,11H2
InChIKeyCRSGIBUMOOUGJL-UHFFFAOYSA-N
XLogP3.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine?
The IUPAC name of 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine (CID 118126969) is 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine is Brc1ccc(COc2ccnn2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine?
The InChIKey is CRSGIBUMOOUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-13-6-4-12(5-7-13)11-20-15-8-10-18-19(15)14-3-1-2-9-17-14/h1-10H,11H2.
What are the key properties of 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine?
2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine has a molecular weight of 330.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine is sourced from PubChem (CID 118126969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).