3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine

C9H10Cl2N2 — CID 130641922

IUPAC3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine
SMILESClc1cnc([C@@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2/c10-6-4-7(11)9(13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2/t8-/m0/s1
InChIKeyGDKYWZKFGITITI-QMMMGPOBSA-N
MW217.10 g/mol
LogP2.81
Rot. Bonds1

About 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine

3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 130641922) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID130641922
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine
SMILESClc1cnc([C@@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2/c10-6-4-7(11)9(13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2/t8-/m0/s1
InChIKeyGDKYWZKFGITITI-QMMMGPOBSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine (CID 130641922) is 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine is Clc1cnc([C@@H]2CCCN2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is GDKYWZKFGITITI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c10-6-4-7(11)9(13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2/t8-/m0/s1.
What are the key properties of 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine?
3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 217.10 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 130641922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).