2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine

C11H14ClNO3S — CID 122135921

IUPAC2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccnc(Cl)c1)CC1CCCO1
InChIInChI=1S/C11H14ClNO3S/c12-11-6-9(3-4-13-11)7-17(14,15)8-10-2-1-5-16-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyBSGOQEXGGOPNTE-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.83
Rot. Bonds4

About 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine

2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine (PubChem CID 122135921) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
PubChem CID122135921
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccnc(Cl)c1)CC1CCCO1
InChIInChI=1S/C11H14ClNO3S/c12-11-6-9(3-4-13-11)7-17(14,15)8-10-2-1-5-16-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyBSGOQEXGGOPNTE-UHFFFAOYSA-N
XLogP1.83
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide
CID 95382932
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
1-[2-[(2-chloro-4-pyridinyl)methylsulfanyl]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97262264
2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid
CID 106493679
1-(4-chlorophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497088
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
3-methoxy-6-(oxan-2-ylmethylsulfonylmethyl)pyridazine
CID 167911690
[4-methoxy-3-(oxolan-2-ylmethylsulfonylmethyl)phenyl]methanamine
CID 106496038
4-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106494893
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine?
The IUPAC name of 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine (CID 122135921) is 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine?
The canonical SMILES for 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine is O=S(=O)(Cc1ccnc(Cl)c1)CC1CCCO1.
What is the InChIKey of 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine?
The InChIKey is BSGOQEXGGOPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-11-6-9(3-4-13-11)7-17(14,15)8-10-2-1-5-16-10/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine?
2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine has a molecular weight of 275.76 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine is sourced from PubChem (CID 122135921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).