3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine

C16H17ClN2O — CID 54162908

IUPAC3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESClc1ccc(-c2cncc(OC[C@H]3CCCN3)c2)cc1
InChIInChI=1S/C16H17ClN2O/c17-14-5-3-12(4-6-14)13-8-16(10-18-9-13)20-11-15-2-1-7-19-15/h3-6,8-10,15,19H,1-2,7,11H2/t15-/m1/s1
InChIKeyOPRBCYGSQANZLM-OAHLLOKOSA-N
MW288.78 g/mol
LogP3.53
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine

3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54162908) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID54162908
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SMILESClc1ccc(-c2cncc(OC[C@H]3CCCN3)c2)cc1
InChIInChI=1S/C16H17ClN2O/c17-14-5-3-12(4-6-14)13-8-16(10-18-9-13)20-11-15-2-1-7-19-15/h3-6,8-10,15,19H,1-2,7,11H2/t15-/m1/s1
InChIKeyOPRBCYGSQANZLM-OAHLLOKOSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
CID 117230889
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine (CID 54162908) is 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is Clc1ccc(-c2cncc(OC[C@H]3CCCN3)c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is OPRBCYGSQANZLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-5-3-12(4-6-14)13-8-16(10-18-9-13)20-11-15-2-1-7-19-15/h3-6,8-10,15,19H,1-2,7,11H2/t15-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine?
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 288.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54162908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).