2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride

C11H16Cl2N2S — CID 71639976

IUPAC2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
SMILESCl.Clc1ccc(CSCC2CCCN2)cn1
InChIInChI=1S/C11H15ClN2S.ClH/c12-11-4-3-9(6-14-11)7-15-8-10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5,7-8H2;1H
InChIKeyZQPWYDMTRQQDJX-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.14
Rot. Bonds4

About 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride

2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride (PubChem CID 71639976) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
PubChem CID71639976
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC Name2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
SMILESCl.Clc1ccc(CSCC2CCCN2)cn1
InChIInChI=1S/C11H15ClN2S.ClH/c12-11-4-3-9(6-14-11)7-15-8-10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5,7-8H2;1H
InChIKeyZQPWYDMTRQQDJX-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.14
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-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
CID 71639974
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
2-[(4-bromophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071015
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070999
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
The IUPAC name of 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride (CID 71639976) is 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride is Cl.Clc1ccc(CSCC2CCCN2)cn1.
What is the InChIKey of 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
The InChIKey is ZQPWYDMTRQQDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S.ClH/c12-11-4-3-9(6-14-11)7-15-8-10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5,7-8H2;1H.
What are the key properties of 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride has a molecular weight of 279.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride is sourced from PubChem (CID 71639976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).