5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine

C10H14ClNO3S — CID 171049262

IUPAC5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine
SMILESCC(C)COc1ncc(Cl)cc1S(C)(=O)=O
InChIInChI=1S/C10H14ClNO3S/c1-7(2)6-15-10-9(16(3,13)14)4-8(11)5-12-10/h4-5,7H,6H2,1-3H3
InChIKeyCKKTZSDJHCYBSR-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.17
Rot. Bonds4

About 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine

5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine (PubChem CID 171049262) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine
PubChem CID171049262
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine
SMILESCC(C)COc1ncc(Cl)cc1S(C)(=O)=O
InChIInChI=1S/C10H14ClNO3S/c1-7(2)6-15-10-9(16(3,13)14)4-8(11)5-12-10/h4-5,7H,6H2,1-3H3
InChIKeyCKKTZSDJHCYBSR-UHFFFAOYSA-N
XLogP2.17
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethoxypyridine-3-sulfonyl chloride
CID 126662502
(5-chloro-3-methylsulfonyl-2-pyridinyl)methyl carbamate
CID 175309574
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
5-chloro-2-(difluoromethoxy)pyridine-3-sulfonyl chloride
CID 138675726
2-methylpropyl 5-chloro-3-chlorosulfonyl-2-methylbenzoate
CID 82890756
(3aR,6aS)-5-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl]-2-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170731437
3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-1H-indazole-6-carboxamide
CID 155526133
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
CID 176889482
2-(2-methylpropoxy)-5-(methylsulfonylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 155639850
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
3-bromo-5-chloro-2-(4-methylpentoxy)pyridine
CID 114837631

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine?
The IUPAC name of 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine (CID 171049262) is 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine.
What is the SMILES notation for 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine?
The canonical SMILES for 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine is CC(C)COc1ncc(Cl)cc1S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine?
The InChIKey is CKKTZSDJHCYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-7(2)6-15-10-9(16(3,13)14)4-8(11)5-12-10/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine?
5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine has a molecular weight of 263.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropoxy)-3-methylsulfonylpyridine is sourced from PubChem (CID 171049262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).