3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane

C13H22ClIN2 — CID 158698333

IUPAC3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
SMILESC.CI.Cc1ncc([C@@H]2CCCN2C)cc1Cl
InChIInChI=1S/C11H15ClN2.CH3I.CH4/c1-8-10(12)6-9(7-13-8)11-4-3-5-14(11)2;1-2;/h6-7,11H,3-5H2,1-2H3;1H3;1H4/t11-;;/m0../s1
InChIKeyIHFLVIGLCVADIW-IDMXKUIJSA-N
MW368.69 g/mol
LogP4.50
Rot. Bonds1

About 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane

3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane (PubChem CID 158698333) has the molecular formula C13H22ClIN2 and a molecular weight of 368.69 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane.

Molecular Properties

Compound Name3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
PubChem CID158698333
Molecular FormulaC13H22ClIN2
Molecular Weight368.69 g/mol
Exact Mass368.05
IUPAC Name3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
SMILESC.CI.Cc1ncc([C@@H]2CCCN2C)cc1Cl
InChIInChI=1S/C11H15ClN2.CH3I.CH4/c1-8-10(12)6-9(7-13-8)11-4-3-5-14(11)2;1-2;/h6-7,11H,3-5H2,1-2H3;1H3;1H4/t11-;;/m0../s1
InChIKeyIHFLVIGLCVADIW-IDMXKUIJSA-N
XLogP4.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.69
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11858854
2-methoxy-3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 102542386
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
CID 115043434
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024
3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride
CID 157088609
5-(1-methylpyrrolidin-2-yl)-2-nitrosopyridine
CID 142692087
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 59522801
3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole
CID 59522850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane?
The IUPAC name of 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane (CID 158698333) is 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane.
What is the SMILES notation for 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane?
The canonical SMILES for 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane is C.CI.Cc1ncc([C@@H]2CCCN2C)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane?
The InChIKey is IHFLVIGLCVADIW-IDMXKUIJSA-N. The full InChI is InChI=1S/C11H15ClN2.CH3I.CH4/c1-8-10(12)6-9(7-13-8)11-4-3-5-14(11)2;1-2;/h6-7,11H,3-5H2,1-2H3;1H3;1H4/t11-;;/m0../s1.
What are the key properties of 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane?
3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane has a molecular weight of 368.69 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane is sourced from PubChem (CID 158698333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).