2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine

C16H18ClN3 — CID 91126376

IUPAC2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine
SMILESC[C@@H](c1ccccn1)N1CC[C@H](c2ccc(Cl)nc2)C1
InChIInChI=1S/C16H18ClN3/c1-12(15-4-2-3-8-18-15)20-9-7-14(11-20)13-5-6-16(17)19-10-13/h2-6,8,10,12,14H,7,9,11H2,1H3/t12-,14-/m0/s1
InChIKeySZLVFAUUWLIGPT-JSGCOSHPSA-N
MW287.79 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine

2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine (PubChem CID 91126376) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine
PubChem CID91126376
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine
SMILESC[C@@H](c1ccccn1)N1CC[C@H](c2ccc(Cl)nc2)C1
InChIInChI=1S/C16H18ClN3/c1-12(15-4-2-3-8-18-15)20-9-7-14(11-20)13-5-6-16(17)19-10-13/h2-6,8,10,12,14H,7,9,11H2,1H3/t12-,14-/m0/s1
InChIKeySZLVFAUUWLIGPT-JSGCOSHPSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.68
H-Bond Donors ≤ 50
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-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine?
The IUPAC name of 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine (CID 91126376) is 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine?
The canonical SMILES for 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine is C[C@@H](c1ccccn1)N1CC[C@H](c2ccc(Cl)nc2)C1.
What is the InChIKey of 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine?
The InChIKey is SZLVFAUUWLIGPT-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-12(15-4-2-3-8-18-15)20-9-7-14(11-20)13-5-6-16(17)19-10-13/h2-6,8,10,12,14H,7,9,11H2,1H3/t12-,14-/m0/s1.
What are the key properties of 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine?
2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine has a molecular weight of 287.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 91126376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).