2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine

C14H9BrFN3 — CID 69350004

IUPAC2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1ccc(-c2cn[nH]c2-c2ccccn2)cc1Br
InChIInChI=1S/C14H9BrFN3/c15-11-7-9(4-5-12(11)16)10-8-18-19-14(10)13-3-1-2-6-17-13/h1-8H,(H,18,19)
InChIKeyQPCLLVBMXVMBLX-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.04
Rot. Bonds2

About 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine

2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 69350004) has the molecular formula C14H9BrFN3 and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
PubChem CID69350004
Molecular FormulaC14H9BrFN3
Molecular Weight318.15 g/mol
Exact Mass317.00
IUPAC Name2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1ccc(-c2cn[nH]c2-c2ccccn2)cc1Br
InChIInChI=1S/C14H9BrFN3/c15-11-7-9(4-5-12(11)16)10-8-18-19-14(10)13-3-1-2-6-17-13/h1-8H,(H,18,19)
InChIKeyQPCLLVBMXVMBLX-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine (CID 69350004) is 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine is Fc1ccc(-c2cn[nH]c2-c2ccccn2)cc1Br.
What is the InChIKey of 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is QPCLLVBMXVMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3/c15-11-7-9(4-5-12(11)16)10-8-18-19-14(10)13-3-1-2-6-17-13/h1-8H,(H,18,19).
What are the key properties of 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 318.15 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 69350004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).