2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine

C11H14BrNO3S — CID 167914363

IUPAC2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine
SMILESCc1cc(CS(=O)(=O)C2CCOC2)cnc1Br
InChIInChI=1S/C11H14BrNO3S/c1-8-4-9(5-13-11(8)12)7-17(14,15)10-2-3-16-6-10/h4-5,10H,2-3,6-7H2,1H3
InChIKeyIMFURLIYLJDTSP-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.86
Rot. Bonds3

About 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine

2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine (PubChem CID 167914363) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine
PubChem CID167914363
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine
SMILESCc1cc(CS(=O)(=O)C2CCOC2)cnc1Br
InChIInChI=1S/C11H14BrNO3S/c1-8-4-9(5-13-11(8)12)7-17(14,15)10-2-3-16-6-10/h4-5,10H,2-3,6-7H2,1H3
InChIKeyIMFURLIYLJDTSP-UHFFFAOYSA-N
XLogP1.86
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.86
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-bromo-5-ethyl-3-methylpyridine
CID 18341142
2-chloro-6-methoxy-4-(oxan-3-ylsulfonylmethyl)pyridine
CID 167862347
N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
CID 79729960
3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane
CID 166276247
2-methyl-5-(oxolan-3-ylmethyl)pyridine
CID 170611002
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
1-methyl-5-(oxan-3-ylsulfonylmethyl)-3-(trifluoromethyl)pyrazole
CID 146106601
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 114364238
3-(2-bromo-5-iodophenyl)sulfonyloxolane
CID 156832385
N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide
CID 166224823
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125178207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine?
The IUPAC name of 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine (CID 167914363) is 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine?
The canonical SMILES for 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine is Cc1cc(CS(=O)(=O)C2CCOC2)cnc1Br.
What is the InChIKey of 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine?
The InChIKey is IMFURLIYLJDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-8-4-9(5-13-11(8)12)7-17(14,15)10-2-3-16-6-10/h4-5,10H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine?
2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine has a molecular weight of 320.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-(oxolan-3-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 167914363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).