2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine

C14H19Cl2N3 — CID 116518981

IUPAC2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESClc1cc(Cl)c(CN2CCC(N3CCCC3)C2)cn1
InChIInChI=1S/C14H19Cl2N3/c15-13-7-14(16)17-8-11(13)9-18-6-3-12(10-18)19-4-1-2-5-19/h7-8,12H,1-6,9-10H2
InChIKeyXKFCTAXRRYQSIX-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.06
Rot. Bonds3

About 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine

2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 116518981) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID116518981
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESClc1cc(Cl)c(CN2CCC(N3CCCC3)C2)cn1
InChIInChI=1S/C14H19Cl2N3/c15-13-7-14(16)17-8-11(13)9-18-6-3-12(10-18)19-4-1-2-5-19/h7-8,12H,1-6,9-10H2
InChIKeyXKFCTAXRRYQSIX-UHFFFAOYSA-N
XLogP3.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.06
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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Related Compounds

2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 116519047
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 116518828
[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 116519780
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 106993757
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 102669966
2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
CID 116518803
ethyl (3R)-1-[(4,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104889125
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol
CID 116519896
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667918
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine (CID 116518981) is 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine is Clc1cc(Cl)c(CN2CCC(N3CCCC3)C2)cn1.
What is the InChIKey of 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is XKFCTAXRRYQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c15-13-7-14(16)17-8-11(13)9-18-6-3-12(10-18)19-4-1-2-5-19/h7-8,12H,1-6,9-10H2.
What are the key properties of 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 300.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 116518981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).