2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine

C16H17ClN2O — CID 18458735

IUPAC2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESClc1ncc(OCC2CCCN2)cc1-c1ccccc1
InChIInChI=1S/C16H17ClN2O/c17-16-15(12-5-2-1-3-6-12)9-14(10-19-16)20-11-13-7-4-8-18-13/h1-3,5-6,9-10,13,18H,4,7-8,11H2
InChIKeyJELMBTZOSWLRGZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine

2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 18458735) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID18458735
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESClc1ncc(OCC2CCCN2)cc1-c1ccccc1
InChIInChI=1S/C16H17ClN2O/c17-16-15(12-5-2-1-3-6-12)9-14(10-19-16)20-11-13-7-4-8-18-13/h1-3,5-6,9-10,13,18H,4,7-8,11H2
InChIKeyJELMBTZOSWLRGZ-UHFFFAOYSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
2-chloro-3-ethynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18459021
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
5-[[(2S)-azetidin-2-yl]methoxy]-2-chloro-3-(2-fluoro-4-pyridinyl)pyridine
CID 11346906
2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine
CID 22872636
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57313575
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 18458735) is 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine is Clc1ncc(OCC2CCCN2)cc1-c1ccccc1.
What is the InChIKey of 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is JELMBTZOSWLRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-16-15(12-5-2-1-3-6-12)9-14(10-19-16)20-11-13-7-4-8-18-13/h1-3,5-6,9-10,13,18H,4,7-8,11H2.
What are the key properties of 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)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 2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 18458735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).