3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine

C9H8ClN3OS — CID 91004341

IUPAC3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
SMILESCS(=O)c1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C9H8ClN3OS/c1-15(14)8-4-6-13(12-8)9-7(10)3-2-5-11-9/h2-6H,1H3
InChIKeyOEQQALRAGQNHJD-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.66
Rot. Bonds2

About 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine

3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine (PubChem CID 91004341) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
PubChem CID91004341
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
SMILESCS(=O)c1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C9H8ClN3OS/c1-15(14)8-4-6-13(12-8)9-7(10)3-2-5-11-9/h2-6H,1H3
InChIKeyOEQQALRAGQNHJD-UHFFFAOYSA-N
XLogP1.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
CID 130684274
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
CID 141187015
[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile
CID 141055745
3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
CID 58336788
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
CID 155948532
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine
CID 141192036
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide
CID 167845656
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
CID 155957425
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
CID 155958138

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine (CID 91004341) is 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine is CS(=O)c1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine?
The InChIKey is OEQQALRAGQNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-15(14)8-4-6-13(12-8)9-7(10)3-2-5-11-9/h2-6H,1H3.
What are the key properties of 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine?
3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine has a molecular weight of 241.70 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine is sourced from PubChem (CID 91004341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).