(3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol

C19H17ClN2OS — CID 69160809

IUPAC(3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc(-c3cc(Cl)ccc3-c3cccs3)nc2)C1
InChIInChI=1S/C19H17ClN2OS/c20-13-3-5-16(19-2-1-9-24-19)17(10-13)18-6-4-14(11-21-18)22-8-7-15(23)12-22/h1-6,9-11,15,23H,7-8,12H2/t15-/m1/s1
InChIKeyFQNDXNFXBNSVED-OAHLLOKOSA-N
MW356.88 g/mol
LogP4.70
Rot. Bonds3

About (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol

(3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol (PubChem CID 69160809) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol
PubChem CID69160809
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name(3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc(-c3cc(Cl)ccc3-c3cccs3)nc2)C1
InChIInChI=1S/C19H17ClN2OS/c20-13-3-5-16(19-2-1-9-24-19)17(10-13)18-6-4-14(11-21-18)22-8-7-15(23)12-22/h1-6,9-11,15,23H,7-8,12H2/t15-/m1/s1
InChIKeyFQNDXNFXBNSVED-OAHLLOKOSA-N
XLogP4.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol (CID 69160809) is (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol is O[C@@H]1CCN(c2ccc(-c3cc(Cl)ccc3-c3cccs3)nc2)C1.
What is the InChIKey of (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol?
The InChIKey is FQNDXNFXBNSVED-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c20-13-3-5-16(19-2-1-9-24-19)17(10-13)18-6-4-14(11-21-18)22-8-7-15(23)12-22/h1-6,9-11,15,23H,7-8,12H2/t15-/m1/s1.
What are the key properties of (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol?
(3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol has a molecular weight of 356.88 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(5-chloro-2-thiophen-2-ylphenyl)-3-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 69160809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).