3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine

C12H17ClN2 — CID 102784644

IUPAC3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
SMILESCC1CCN(Cc2cccnc2)C1CCl
InChIInChI=1S/C12H17ClN2/c1-10-4-6-15(12(10)7-13)9-11-3-2-5-14-8-11/h2-3,5,8,10,12H,4,6-7,9H2,1H3
InChIKeyQKYMQUAZQAFTNF-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.53
Rot. Bonds3

About 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine

3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine (PubChem CID 102784644) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
PubChem CID102784644
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
SMILESCC1CCN(Cc2cccnc2)C1CCl
InChIInChI=1S/C12H17ClN2/c1-10-4-6-15(12(10)7-13)9-11-3-2-5-14-8-11/h2-3,5,8,10,12H,4,6-7,9H2,1H3
InChIKeyQKYMQUAZQAFTNF-UHFFFAOYSA-N
XLogP2.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
CID 102784654
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
CID 131052532
3-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]pyridine
CID 97384213
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
(3aS,6aR)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124812700
(3aR,6aS)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459194

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine (CID 102784644) is 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine is CC1CCN(Cc2cccnc2)C1CCl.
What is the InChIKey of 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
The InChIKey is QKYMQUAZQAFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-4-6-15(12(10)7-13)9-11-3-2-5-14-8-11/h2-3,5,8,10,12H,4,6-7,9H2,1H3.
What are the key properties of 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 102784644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).