3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C17H19ClN2O — CID 15480243

IUPAC3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-20-8-2-3-16(20)12-21-17-9-14(10-19-11-17)13-4-6-15(18)7-5-13/h4-7,9-11,16H,2-3,8,12H2,1H3/t16-/m0/s1
InChIKeyRWJMDBDHEUCWHN-INIZCTEOSA-N
MW302.81 g/mol
LogP3.88
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 15480243) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID15480243
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-20-8-2-3-16(20)12-21-17-9-14(10-19-11-17)13-4-6-15(18)7-5-13/h4-7,9-11,16H,2-3,8,12H2,1H3/t16-/m0/s1
InChIKeyRWJMDBDHEUCWHN-INIZCTEOSA-N
XLogP3.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 15480243) is 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CN1CCC[C@H]1COc1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is RWJMDBDHEUCWHN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20-8-2-3-16(20)12-21-17-9-14(10-19-11-17)13-4-6-15(18)7-5-13/h4-7,9-11,16H,2-3,8,12H2,1H3/t16-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 302.81 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 15480243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).