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

C10H14BrClN2OS — CID 71636431

IUPAC2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
SMILESCl.O=S(CC1CCCN1)c1cccc(Br)n1
InChIInChI=1S/C10H13BrN2OS.ClH/c11-9-4-1-5-10(13-9)15(14)7-8-3-2-6-12-8;/h1,4-5,8,12H,2-3,6-7H2;1H
InChIKeyMVCNWQPMHVIDQY-UHFFFAOYSA-N
MW325.66 g/mol
LogP2.13
Rot. Bonds3

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

2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride (PubChem CID 71636431) has the molecular formula C10H14BrClN2OS and a molecular weight of 325.66 g/mol. Its IUPAC name is 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
PubChem CID71636431
Molecular FormulaC10H14BrClN2OS
Molecular Weight325.66 g/mol
Exact Mass323.97
IUPAC Name2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
SMILESCl.O=S(CC1CCCN1)c1cccc(Br)n1
InChIInChI=1S/C10H13BrN2OS.ClH/c11-9-4-1-5-10(13-9)15(14)7-8-3-2-6-12-8;/h1,4-5,8,12H,2-3,6-7H2;1H
InChIKeyMVCNWQPMHVIDQY-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
CID 71636432
2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97178213
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
CID 97166212
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166293
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
CID 97177866

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
The IUPAC name of 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride (CID 71636431) is 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
The canonical SMILES for 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride is Cl.O=S(CC1CCCN1)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
The InChIKey is MVCNWQPMHVIDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS.ClH/c11-9-4-1-5-10(13-9)15(14)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-ylmethylsulfinyl)pyridine;hydrochloride?
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride has a molecular weight of 325.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride is sourced from PubChem (CID 71636431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).