2-chloro-6-pyrrolidin-3-yloxypyridine

C9H11ClN2O — CID 87733197

IUPAC2-chloro-6-pyrrolidin-3-yloxypyridine
SMILESClc1cccc(OC2CCNC2)n1
InChIInChI=1S/C9H11ClN2O/c10-8-2-1-3-9(12-8)13-7-4-5-11-6-7/h1-3,7,11H,4-6H2
InChIKeyPMWPYCPHPBHJAL-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.48
Rot. Bonds2

About 2-chloro-6-pyrrolidin-3-yloxypyridine

2-chloro-6-pyrrolidin-3-yloxypyridine (PubChem CID 87733197) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-6-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name2-chloro-6-pyrrolidin-3-yloxypyridine
PubChem CID87733197
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-6-pyrrolidin-3-yloxypyridine
SMILESClc1cccc(OC2CCNC2)n1
InChIInChI=1S/C9H11ClN2O/c10-8-2-1-3-9(12-8)13-7-4-5-11-6-7/h1-3,7,11H,4-6H2
InChIKeyPMWPYCPHPBHJAL-UHFFFAOYSA-N
XLogP1.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrrolidin-3-yloxypyridine?
The IUPAC name of 2-chloro-6-pyrrolidin-3-yloxypyridine (CID 87733197) is 2-chloro-6-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 2-chloro-6-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 2-chloro-6-pyrrolidin-3-yloxypyridine is Clc1cccc(OC2CCNC2)n1.
What is the InChIKey of 2-chloro-6-pyrrolidin-3-yloxypyridine?
The InChIKey is PMWPYCPHPBHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-2-1-3-9(12-8)13-7-4-5-11-6-7/h1-3,7,11H,4-6H2.
What are the key properties of 2-chloro-6-pyrrolidin-3-yloxypyridine?
2-chloro-6-pyrrolidin-3-yloxypyridine has a molecular weight of 198.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 87733197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).