4-(2-chloro-3-methylsulfonylpropyl)pyridine

C9H12ClNO2S — CID 66459989

IUPAC4-(2-chloro-3-methylsulfonylpropyl)pyridine
SMILESCS(=O)(=O)CC(Cl)Cc1ccncc1
InChIInChI=1S/C9H12ClNO2S/c1-14(12,13)7-9(10)6-8-2-4-11-5-3-8/h2-5,9H,6-7H2,1H3
InChIKeyFEWBKODIWZSQDJ-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.28
Rot. Bonds4

About 4-(2-chloro-3-methylsulfonylpropyl)pyridine

4-(2-chloro-3-methylsulfonylpropyl)pyridine (PubChem CID 66459989) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 4-(2-chloro-3-methylsulfonylpropyl)pyridine.

Molecular Properties

Compound Name4-(2-chloro-3-methylsulfonylpropyl)pyridine
PubChem CID66459989
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name4-(2-chloro-3-methylsulfonylpropyl)pyridine
SMILESCS(=O)(=O)CC(Cl)Cc1ccncc1
InChIInChI=1S/C9H12ClNO2S/c1-14(12,13)7-9(10)6-8-2-4-11-5-3-8/h2-5,9H,6-7H2,1H3
InChIKeyFEWBKODIWZSQDJ-UHFFFAOYSA-N
XLogP1.28
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
CID 105317597
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
3-methylsulfonyl-2-pyridin-4-ylpropanoic acid
CID 117246574
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
4-(2-chloro-3-cyclopropylbutyl)pyridine
CID 83152471
5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 55163915
4-(2-chloro-3-methylhexyl)pyridine
CID 66459985
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
methyl 3-methylsulfonyl-2-pyridin-4-ylpropanoate
CID 117246575

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylsulfonylpropyl)pyridine?
The IUPAC name of 4-(2-chloro-3-methylsulfonylpropyl)pyridine (CID 66459989) is 4-(2-chloro-3-methylsulfonylpropyl)pyridine.
What is the SMILES notation for 4-(2-chloro-3-methylsulfonylpropyl)pyridine?
The canonical SMILES for 4-(2-chloro-3-methylsulfonylpropyl)pyridine is CS(=O)(=O)CC(Cl)Cc1ccncc1.
What is the InChIKey of 4-(2-chloro-3-methylsulfonylpropyl)pyridine?
The InChIKey is FEWBKODIWZSQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-14(12,13)7-9(10)6-8-2-4-11-5-3-8/h2-5,9H,6-7H2,1H3.
What are the key properties of 4-(2-chloro-3-methylsulfonylpropyl)pyridine?
4-(2-chloro-3-methylsulfonylpropyl)pyridine has a molecular weight of 233.72 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylsulfonylpropyl)pyridine is sourced from PubChem (CID 66459989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).