2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine

C13H19ClN2O — CID 23227074

IUPAC2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCCc1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-4-10-7-12(8-16-13(10)14)17-9-11-5-3-6-15-11/h7-8,11,15H,2-6,9H2,1H3
InChIKeyWDLYYBJLMBTKAH-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine

2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 23227074) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID23227074
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCCc1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-4-10-7-12(8-16-13(10)14)17-9-11-5-3-6-15-11/h7-8,11,15H,2-6,9H2,1H3
InChIKeyWDLYYBJLMBTKAH-UHFFFAOYSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pozanicline
CID 178052
Tebanicline
CID 3075702
Ispronicline
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5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
3-(Benzyloxy)-2-chloropyridine
CID 819374
5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine
CID 9815575
3-[(2s)-Azetidin-2-Ylmethoxy]-5-[(1s,2r)-2-(2-Methoxyethyl)cyclopropyl]pyridine
CID 56951495
TC-2559
CID 9823180
5-[(2S)-2-aminopropoxy]-2-chloro-3-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10062782
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 56951497
5-phenyl-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9839702
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 23227074) is 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine is CCCc1cc(OCC2CCCN2)cnc1Cl.
What is the InChIKey of 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is WDLYYBJLMBTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-4-10-7-12(8-16-13(10)14)17-9-11-5-3-6-15-11/h7-8,11,15H,2-6,9H2,1H3.
What are the key properties of 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propyl-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 23227074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).