3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine

C10H10BrN3S — CID 55208915

IUPAC3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
SMILESCc1cc(Sc2ncccc2Br)n(C)n1
InChIInChI=1S/C10H10BrN3S/c1-7-6-9(14(2)13-7)15-10-8(11)4-3-5-12-10/h3-6H,1-2H3
InChIKeyKDPZRFLFWUPTNR-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.04
Rot. Bonds2

About 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine

3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine (PubChem CID 55208915) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
PubChem CID55208915
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
SMILESCc1cc(Sc2ncccc2Br)n(C)n1
InChIInChI=1S/C10H10BrN3S/c1-7-6-9(14(2)13-7)15-10-8(11)4-3-5-12-10/h3-6H,1-2H3
InChIKeyKDPZRFLFWUPTNR-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine?
The IUPAC name of 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine (CID 55208915) is 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine.
What is the SMILES notation for 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine?
The canonical SMILES for 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine is Cc1cc(Sc2ncccc2Br)n(C)n1.
What is the InChIKey of 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine?
The InChIKey is KDPZRFLFWUPTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-7-6-9(14(2)13-7)15-10-8(11)4-3-5-12-10/h3-6H,1-2H3.
What are the key properties of 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine?
3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine has a molecular weight of 284.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine is sourced from PubChem (CID 55208915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).