2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine

C14H21ClN2 — CID 112651342

IUPAC2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1CN1CCCC1CCCCl
InChIInChI=1S/C14H21ClN2/c1-12-5-3-9-16-14(12)11-17-10-4-7-13(17)6-2-8-15/h3,5,9,13H,2,4,6-8,10-11H2,1H3
InChIKeyFVCGRWWOYCAIOX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.37
Rot. Bonds5

About 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine

2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine (PubChem CID 112651342) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
PubChem CID112651342
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1CN1CCCC1CCCCl
InChIInChI=1S/C14H21ClN2/c1-12-5-3-9-16-14(12)11-17-10-4-7-13(17)6-2-8-15/h3,5,9,13H,2,4,6-8,10-11H2,1H3
InChIKeyFVCGRWWOYCAIOX-UHFFFAOYSA-N
XLogP3.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.37
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

[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
2-[2-(2-ethylpyrrolidin-1-yl)ethyl]-3-methylpyridine
CID 66613040
3-methyl-2-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 112650958
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102878849
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 166348925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine?
The IUPAC name of 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine (CID 112651342) is 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine is Cc1cccnc1CN1CCCC1CCCCl.
What is the InChIKey of 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine?
The InChIKey is FVCGRWWOYCAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-5-3-9-16-14(12)11-17-10-4-7-13(17)6-2-8-15/h3,5,9,13H,2,4,6-8,10-11H2,1H3.
What are the key properties of 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine?
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine has a molecular weight of 252.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine is sourced from PubChem (CID 112651342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).