2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride

C10H14BrClN2O2S — CID 71636411

IUPAC2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCN1)c1cccc(Br)n1
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-9-4-1-5-10(13-9)16(14,15)7-8-3-2-6-12-8;/h1,4-5,8,12H,2-3,6-7H2;1H
InChIKeyLSMUAJKKZRUMSA-UHFFFAOYSA-N
MW341.66 g/mol
LogP1.79
Rot. Bonds3

About 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride

2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride (PubChem CID 71636411) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
PubChem CID71636411
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCN1)c1cccc(Br)n1
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-9-4-1-5-10(13-9)16(14,15)7-8-3-2-6-12-8;/h1,4-5,8,12H,2-3,6-7H2;1H
InChIKeyLSMUAJKKZRUMSA-UHFFFAOYSA-N
XLogP1.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71636431
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638946
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
CID 97162931

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride?
The IUPAC name of 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride (CID 71636411) is 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride?
The canonical SMILES for 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride is Cl.O=S(=O)(CC1CCCN1)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride?
The InChIKey is LSMUAJKKZRUMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S.ClH/c11-9-4-1-5-10(13-9)16(14,15)7-8-3-2-6-12-8;/h1,4-5,8,12H,2-3,6-7H2;1H.
What are the key properties of 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride?
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride has a molecular weight of 341.66 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride is sourced from PubChem (CID 71636411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).