2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine

C15H17ClN2OS — CID 54210749

IUPAC2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine
SMILESCN1CCC[C@H]1COc1cnc(Cl)c(-c2cccs2)c1
InChIInChI=1S/C15H17ClN2OS/c1-18-6-2-4-11(18)10-19-12-8-13(15(16)17-9-12)14-5-3-7-20-14/h3,5,7-9,11H,2,4,6,10H2,1H3/t11-/m0/s1
InChIKeyPVTPVJWJUDGXPG-NSHDSACASA-N
MW308.83 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine

2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine (PubChem CID 54210749) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine
PubChem CID54210749
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine
SMILESCN1CCC[C@H]1COc1cnc(Cl)c(-c2cccs2)c1
InChIInChI=1S/C15H17ClN2OS/c1-18-6-2-4-11(18)10-19-12-8-13(15(16)17-9-12)14-5-3-7-20-14/h3,5,7-9,11H,2,4,6,10H2,1H3/t11-/m0/s1
InChIKeyPVTPVJWJUDGXPG-NSHDSACASA-N
XLogP3.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine?
The IUPAC name of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine (CID 54210749) is 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine.
What is the SMILES notation for 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine?
The canonical SMILES for 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine is CN1CCC[C@H]1COc1cnc(Cl)c(-c2cccs2)c1.
What is the InChIKey of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine?
The InChIKey is PVTPVJWJUDGXPG-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-18-6-2-4-11(18)10-19-12-8-13(15(16)17-9-12)14-5-3-7-20-14/h3,5,7-9,11H,2,4,6,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine?
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine has a molecular weight of 308.83 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-thiophen-2-ylpyridine is sourced from PubChem (CID 54210749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).