(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone

C18H19ClN2O2 — CID 111472239

IUPAC(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c19-14-8-9-16(20-12-14)18(23)21-10-4-7-15(21)11-17(22)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,15,17,22H,4,7,10-11H2
InChIKeyLQINWFNJGKFWGH-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.46
Rot. Bonds4

About (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone

(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 111472239) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID111472239
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c19-14-8-9-16(20-12-14)18(23)21-10-4-7-15(21)11-17(22)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,15,17,22H,4,7,10-11H2
InChIKeyLQINWFNJGKFWGH-UHFFFAOYSA-N
XLogP3.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone (CID 111472239) is (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cn1)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LQINWFNJGKFWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-8-9-16(20-12-14)18(23)21-10-4-7-15(21)11-17(22)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,15,17,22H,4,7,10-11H2.
What are the key properties of (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 330.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 111472239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).