(3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol

C11H15ClN2O — CID 72850385

IUPAC(3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ccc(Cl)cn2)C[C@]1(C)O
InChIInChI=1S/C11H15ClN2O/c1-8-6-14(7-11(8,2)15)10-4-3-9(12)5-13-10/h3-5,8,15H,6-7H2,1-2H3/t8-,11+/m1/s1
InChIKeyNNUXURBPAMVSRO-KCJUWKMLSA-N
MW226.71 g/mol
LogP1.94
Rot. Bonds1

About (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol

(3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72850385) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72850385
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ccc(Cl)cn2)C[C@]1(C)O
InChIInChI=1S/C11H15ClN2O/c1-8-6-14(7-11(8,2)15)10-4-3-9(12)5-13-10/h3-5,8,15H,6-7H2,1-2H3/t8-,11+/m1/s1
InChIKeyNNUXURBPAMVSRO-KCJUWKMLSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol (CID 72850385) is (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol is C[C@@H]1CN(c2ccc(Cl)cn2)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is NNUXURBPAMVSRO-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-6-14(7-11(8,2)15)10-4-3-9(12)5-13-10/h3-5,8,15H,6-7H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 226.71 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-chloro-2-pyridinyl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72850385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).