2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine

C10H13ClN2O — CID 63587814

IUPAC2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
SMILESCOc1cccc(N2CCC(Cl)C2)n1
InChIInChI=1S/C10H13ClN2O/c1-14-10-4-2-3-9(12-10)13-6-5-8(11)7-13/h2-4,8H,5-7H2,1H3
InChIKeyUFAKNRVVVTZDSX-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.91
Rot. Bonds2

About 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine

2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine (PubChem CID 63587814) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine.

Molecular Properties

Compound Name2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
PubChem CID63587814
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
SMILESCOc1cccc(N2CCC(Cl)C2)n1
InChIInChI=1S/C10H13ClN2O/c1-14-10-4-2-3-9(12-10)13-6-5-8(11)7-13/h2-4,8H,5-7H2,1H3
InChIKeyUFAKNRVVVTZDSX-UHFFFAOYSA-N
XLogP1.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine?
The IUPAC name of 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine (CID 63587814) is 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine.
What is the SMILES notation for 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine?
The canonical SMILES for 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine is COc1cccc(N2CCC(Cl)C2)n1.
What is the InChIKey of 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine?
The InChIKey is UFAKNRVVVTZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-14-10-4-2-3-9(12-10)13-6-5-8(11)7-13/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine?
2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine has a molecular weight of 212.68 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine is sourced from PubChem (CID 63587814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).