(3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone

C17H17ClN2O2 — CID 110203370

IUPAC(3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1C[C@@H](CO)[C@H](c2ccccn2)C1
InChIInChI=1S/C17H17ClN2O2/c18-14-5-3-4-12(8-14)17(22)20-9-13(11-21)15(10-20)16-6-1-2-7-19-16/h1-8,13,15,21H,9-11H2/t13-,15+/m0/s1
InChIKeyPWBZXTXKWSBIQR-DZGCQCFKSA-N
MW316.79 g/mol
LogP2.58
Rot. Bonds3

About (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone

(3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 110203370) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID110203370
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1C[C@@H](CO)[C@H](c2ccccn2)C1
InChIInChI=1S/C17H17ClN2O2/c18-14-5-3-4-12(8-14)17(22)20-9-13(11-21)15(10-20)16-6-1-2-7-19-16/h1-8,13,15,21H,9-11H2/t13-,15+/m0/s1
InChIKeyPWBZXTXKWSBIQR-DZGCQCFKSA-N
XLogP2.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 110203370) is (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1C[C@@H](CO)[C@H](c2ccccn2)C1.
What is the InChIKey of (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is PWBZXTXKWSBIQR-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-5-3-4-12(8-14)17(22)20-9-13(11-21)15(10-20)16-6-1-2-7-19-16/h1-8,13,15,21H,9-11H2/t13-,15+/m0/s1.
What are the key properties of (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 316.79 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110203370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).