4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine

C12H8BrN3S — CID 67260424

IUPAC4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
SMILESBrc1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C12H8BrN3S/c13-11-2-1-10(17-11)12-9(7-15-16-12)8-3-5-14-6-4-8/h1-7H,(H,15,16)
InChIKeyXRWNKLFZHASAHJ-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.96
Rot. Bonds2

About 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine

4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 67260424) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID67260424
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
SMILESBrc1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C12H8BrN3S/c13-11-2-1-10(17-11)12-9(7-15-16-12)8-3-5-14-6-4-8/h1-7H,(H,15,16)
InChIKeyXRWNKLFZHASAHJ-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine (CID 67260424) is 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine is Brc1ccc(-c2[nH]ncc2-c2ccncc2)s1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is XRWNKLFZHASAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-11-2-1-10(17-11)12-9(7-15-16-12)8-3-5-14-6-4-8/h1-7H,(H,15,16).
What are the key properties of 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 306.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 67260424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).