2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine

C16H17ClN2 — CID 95816697

IUPAC2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine
SMILESClc1ccc(Cc2cccc([C@@H]3CCCN3)n2)cc1
InChIInChI=1S/C16H17ClN2/c17-13-8-6-12(7-9-13)11-14-3-1-4-16(19-14)15-5-2-10-18-15/h1,3-4,6-9,15,18H,2,5,10-11H2/t15-/m0/s1
InChIKeyRSZGJWGZTQCTGB-HNNXBMFYSA-N
MW272.78 g/mol
LogP3.75
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine

2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 95816697) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID95816697
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine
SMILESClc1ccc(Cc2cccc([C@@H]3CCCN3)n2)cc1
InChIInChI=1S/C16H17ClN2/c17-13-8-6-12(7-9-13)11-14-3-1-4-16(19-14)15-5-2-10-18-15/h1,3-4,6-9,15,18H,2,5,10-11H2/t15-/m0/s1
InChIKeyRSZGJWGZTQCTGB-HNNXBMFYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-pyrrolidin-2-ylpyrazine
CID 73440172
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553
5-[(4-chlorophenyl)methyl]-4-methyl-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 68819818
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride
CID 171687576
1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
CID 57420134
6-[(4-chlorophenyl)methyl]pyridin-2-amine
CID 151591234
2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818198
N-methyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95804724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine (CID 95816697) is 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine is Clc1ccc(Cc2cccc([C@@H]3CCCN3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is RSZGJWGZTQCTGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-13-8-6-12(7-9-13)11-14-3-1-4-16(19-14)15-5-2-10-18-15/h1,3-4,6-9,15,18H,2,5,10-11H2/t15-/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine?
2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 272.78 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95816697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).