2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C13H19ClN2O — CID 54367867

IUPAC2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@@H]2CCCN2C)cnc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-10-7-12(8-15-13(10)14)17-9-11-5-4-6-16(11)2/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyURAVTRKIOXTQMR-NSHDSACASA-N
MW254.76 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54367867) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID54367867
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@@H]2CCCN2C)cnc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-10-7-12(8-15-13(10)14)17-9-11-5-4-6-16(11)2/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyURAVTRKIOXTQMR-NSHDSACASA-N
XLogP2.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.77
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-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 54367867) is 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CCc1cc(OC[C@@H]2CCCN2C)cnc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is URAVTRKIOXTQMR-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-10-7-12(8-15-13(10)14)17-9-11-5-4-6-16(11)2/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54367867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).