3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

C13H18ClN3 — CID 55053823

IUPAC3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESClc1cccnc1N1CCCC1C1CCCN1
InChIInChI=1S/C13H18ClN3/c14-10-4-1-8-16-13(10)17-9-3-6-12(17)11-5-2-7-15-11/h1,4,8,11-12,15H,2-3,5-7,9H2
InChIKeyOTYVVNQCDPPLLE-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.46
Rot. Bonds2

About 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 55053823) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
PubChem CID55053823
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESClc1cccnc1N1CCCC1C1CCCN1
InChIInChI=1S/C13H18ClN3/c14-10-4-1-8-16-13(10)17-9-3-6-12(17)11-5-2-7-15-11/h1,4,8,11-12,15H,2-3,5-7,9H2
InChIKeyOTYVVNQCDPPLLE-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
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3-methoxy-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
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3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107061252
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 62274622
4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 62274954
1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 104839330
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 142309309
4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 63254204
2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
CID 63254716
(3aR,7aR)-4-(6-chloro-3-pyridinyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 87137560
3-methyl-2-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 112650958

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (CID 55053823) is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is Clc1cccnc1N1CCCC1C1CCCN1.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is OTYVVNQCDPPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-10-4-1-8-16-13(10)17-9-3-6-12(17)11-5-2-7-15-11/h1,4,8,11-12,15H,2-3,5-7,9H2.
What are the key properties of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 251.76 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 55053823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).