3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine

C14H21ClN2 — CID 102878849

IUPAC3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
SMILESCc1cncc(CN2CCCC2CCCCl)c1
InChIInChI=1S/C14H21ClN2/c1-12-8-13(10-16-9-12)11-17-7-3-5-14(17)4-2-6-15/h8-10,14H,2-7,11H2,1H3
InChIKeyQVNZERYUDUOOOP-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.37
Rot. Bonds5

About 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine

3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine (PubChem CID 102878849) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
PubChem CID102878849
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
SMILESCc1cncc(CN2CCCC2CCCCl)c1
InChIInChI=1S/C14H21ClN2/c1-12-8-13(10-16-9-12)11-17-7-3-5-14(17)4-2-6-15/h8-10,14H,2-7,11H2,1H3
InChIKeyQVNZERYUDUOOOP-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

N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
2-methyl-N-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 102879282
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
CID 124734701
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 112651342
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 63762657
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
2-methyl-5-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-triazol-3-amine
CID 136562665
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine?
The IUPAC name of 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine (CID 102878849) is 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine.
What is the SMILES notation for 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine?
The canonical SMILES for 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine is Cc1cncc(CN2CCCC2CCCCl)c1.
What is the InChIKey of 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine?
The InChIKey is QVNZERYUDUOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-8-13(10-16-9-12)11-17-7-3-5-14(17)4-2-6-15/h8-10,14H,2-7,11H2,1H3.
What are the key properties of 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine?
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-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 3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine is sourced from PubChem (CID 102878849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).