2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine

C9H7BrClN3S — CID 155042082

IUPAC2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
SMILESCSc1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C9H7BrClN3S/c1-15-8-5-7(10)13-14(8)9-6(11)3-2-4-12-9/h2-5H,1H3
InChIKeyHRLINKCIGJPELW-UHFFFAOYSA-N
MW304.60 g/mol
LogP3.41
Rot. Bonds2

About 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine

2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine (PubChem CID 155042082) has the molecular formula C9H7BrClN3S and a molecular weight of 304.60 g/mol. Its IUPAC name is 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine.

Molecular Properties

Compound Name2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
PubChem CID155042082
Molecular FormulaC9H7BrClN3S
Molecular Weight304.60 g/mol
Exact Mass302.92
IUPAC Name2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
SMILESCSc1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C9H7BrClN3S/c1-15-8-5-7(10)13-14(8)9-6(11)3-2-4-12-9/h2-5H,1H3
InChIKeyHRLINKCIGJPELW-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine?
The IUPAC name of 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine (CID 155042082) is 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine.
What is the SMILES notation for 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine?
The canonical SMILES for 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine is CSc1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine?
The InChIKey is HRLINKCIGJPELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3S/c1-15-8-5-7(10)13-14(8)9-6(11)3-2-4-12-9/h2-5H,1H3.
What are the key properties of 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine?
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine has a molecular weight of 304.60 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine is sourced from PubChem (CID 155042082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).