2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine

C11H15ClN2O — CID 103757063

IUPAC2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
SMILESCOCC1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2O/c1-15-8-9-3-5-14(7-9)10-2-4-13-11(12)6-10/h2,4,6,9H,3,5,7-8H2,1H3
InChIKeyUJHCCRVSILPDPQ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.21
Rot. Bonds3

About 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine

2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine (PubChem CID 103757063) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
PubChem CID103757063
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
SMILESCOCC1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2O/c1-15-8-9-3-5-14(7-9)10-2-4-13-11(12)6-10/h2,4,6,9H,3,5,7-8H2,1H3
InChIKeyUJHCCRVSILPDPQ-UHFFFAOYSA-N
XLogP2.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
CID 103878204
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
4-[3-(2-chloroethyl)pyrrolidin-1-yl]-2-methoxypyridine
CID 114800882
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine (CID 103757063) is 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine is COCC1CCN(c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is UJHCCRVSILPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-8-9-3-5-14(7-9)10-2-4-13-11(12)6-10/h2,4,6,9H,3,5,7-8H2,1H3.
What are the key properties of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine?
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 226.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 103757063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).