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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Related Compounds

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[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
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2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
ethyl (Z)-3-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-2-chloroprop-2-enoate
CID 175484507
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one
CID 10206373
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
CID 171679473
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
CID 141163748
3-bromo-N-[4-chloro-2-methyl-6-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71723930
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-methylamino]-3,5-dichlorobenzoyl chloride
CID 175538991
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(dimethylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide
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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).