3-chloro-4-pyrrolidin-3-yloxypyridine

C9H11ClN2O — CID 79840362

IUPAC3-chloro-4-pyrrolidin-3-yloxypyridine
SMILESClc1cnccc1OC1CCNC1
InChIInChI=1S/C9H11ClN2O/c10-8-6-12-4-2-9(8)13-7-1-3-11-5-7/h2,4,6-7,11H,1,3,5H2
InChIKeyLUZOBQUNDFLZLG-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.48
Rot. Bonds2

About 3-chloro-4-pyrrolidin-3-yloxypyridine

3-chloro-4-pyrrolidin-3-yloxypyridine (PubChem CID 79840362) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-4-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name3-chloro-4-pyrrolidin-3-yloxypyridine
PubChem CID79840362
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-chloro-4-pyrrolidin-3-yloxypyridine
SMILESClc1cnccc1OC1CCNC1
InChIInChI=1S/C9H11ClN2O/c10-8-6-12-4-2-9(8)13-7-1-3-11-5-7/h2,4,6-7,11H,1,3,5H2
InChIKeyLUZOBQUNDFLZLG-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

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Related Compounds

3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
3,5-dichloro-2-pyrrolidin-3-yloxypyridine
CID 62347674
4-piperidin-4-yloxy-3-(trifluoromethyl)pyridine;hydrochloride
CID 166104292
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
4-chloro-3-[(1S)-1-[(3S)-pyrrolidin-3-yl]oxyethyl]pyridine
CID 124850468
2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 56831272
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
CID 68908820
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 154771306
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyrrolidin-3-yloxypyridine?
The IUPAC name of 3-chloro-4-pyrrolidin-3-yloxypyridine (CID 79840362) is 3-chloro-4-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 3-chloro-4-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 3-chloro-4-pyrrolidin-3-yloxypyridine is Clc1cnccc1OC1CCNC1.
What is the InChIKey of 3-chloro-4-pyrrolidin-3-yloxypyridine?
The InChIKey is LUZOBQUNDFLZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-6-12-4-2-9(8)13-7-1-3-11-5-7/h2,4,6-7,11H,1,3,5H2.
What are the key properties of 3-chloro-4-pyrrolidin-3-yloxypyridine?
3-chloro-4-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 3-chloro-4-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 79840362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).