3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine

C13H19ClN2O — CID 114800698

IUPAC3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncccc1CN1CCC(CCCl)C1
InChIInChI=1S/C13H19ClN2O/c1-17-13-12(3-2-7-15-13)10-16-8-5-11(9-16)4-6-14/h2-3,7,11H,4-6,8-10H2,1H3
InChIKeyJOPMENAELVEEBR-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.54
Rot. Bonds5

About 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine

3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine (PubChem CID 114800698) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
PubChem CID114800698
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncccc1CN1CCC(CCCl)C1
InChIInChI=1S/C13H19ClN2O/c1-17-13-12(3-2-7-15-13)10-16-8-5-11(9-16)4-6-14/h2-3,7,11H,4-6,8-10H2,1H3
InChIKeyJOPMENAELVEEBR-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine
CID 22678701
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
(2R,3aR,7aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124831403
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
The IUPAC name of 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine (CID 114800698) is 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine is COc1ncccc1CN1CCC(CCCl)C1.
What is the InChIKey of 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
The InChIKey is JOPMENAELVEEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-13-12(3-2-7-15-13)10-16-8-5-11(9-16)4-6-14/h2-3,7,11H,4-6,8-10H2,1H3.
What are the key properties of 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine has a molecular weight of 254.76 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 114800698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).