3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine

C11H15ClN2 — CID 131185945

IUPAC3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CN(Cc2cccnc2)CC1Cl
InChIInChI=1S/C11H15ClN2/c1-9-6-14(8-11(9)12)7-10-3-2-4-13-5-10/h2-5,9,11H,6-8H2,1H3
InChIKeyRZZHYEWVEPWJFA-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.14
Rot. Bonds2

About 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine

3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 131185945) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
PubChem CID131185945
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CN(Cc2cccnc2)CC1Cl
InChIInChI=1S/C11H15ClN2/c1-9-6-14(8-11(9)12)7-10-3-2-4-13-5-10/h2-5,9,11H,6-8H2,1H3
InChIKeyRZZHYEWVEPWJFA-UHFFFAOYSA-N
XLogP2.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.14
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

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3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
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(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
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1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
3,5-dimethyl-4-[[2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-oxazole
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3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
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CID 91916522

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine (CID 131185945) is 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine is CC1CN(Cc2cccnc2)CC1Cl.
What is the InChIKey of 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is RZZHYEWVEPWJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-6-14(8-11(9)12)7-10-3-2-4-13-5-10/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine?
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 131185945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).