(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C10H11ClN2O2 — CID 103873753

IUPAC(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cnccc1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H11ClN2O2/c11-9-1-3-12-5-8(9)10(15)13-4-2-7(14)6-13/h1,3,5,7,14H,2,4,6H2/t7-/m1/s1
InChIKeyQIUUJFTWFISXIO-SSDOTTSWSA-N
MW226.66 g/mol
LogP0.94
Rot. Bonds1

About (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 103873753) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID103873753
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cnccc1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H11ClN2O2/c11-9-1-3-12-5-8(9)10(15)13-4-2-7(14)6-13/h1,3,5,7,14H,2,4,6H2/t7-/m1/s1
InChIKeyQIUUJFTWFISXIO-SSDOTTSWSA-N
XLogP0.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 103873753) is (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cnccc1Cl)N1CC[C@@H](O)C1.
What is the InChIKey of (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QIUUJFTWFISXIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-1-3-12-5-8(9)10(15)13-4-2-7(14)6-13/h1,3,5,7,14H,2,4,6H2/t7-/m1/s1.
What are the key properties of (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 226.66 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103873753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).