6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine

C14H18ClN3O2S — CID 171474799

IUPAC6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine
SMILESCN1CCCC[C@@H]1c1cc2cnc(Cl)cc2n1S(C)(=O)=O
InChIInChI=1S/C14H18ClN3O2S/c1-17-6-4-3-5-11(17)13-7-10-9-16-14(15)8-12(10)18(13)21(2,19)20/h7-9,11H,3-6H2,1-2H3/t11-/m1/s1
InChIKeyWXLRPEDGPPUTQQ-LLVKDONJSA-N
MW327.84 g/mol
LogP2.65
Rot. Bonds2

About 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine

6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine (PubChem CID 171474799) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine
PubChem CID171474799
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine
SMILESCN1CCCC[C@@H]1c1cc2cnc(Cl)cc2n1S(C)(=O)=O
InChIInChI=1S/C14H18ClN3O2S/c1-17-6-4-3-5-11(17)13-7-10-9-16-14(15)8-12(10)18(13)21(2,19)20/h7-9,11H,3-6H2,1-2H3/t11-/m1/s1
InChIKeyWXLRPEDGPPUTQQ-LLVKDONJSA-N
XLogP2.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine (CID 171474799) is 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine is CN1CCCC[C@@H]1c1cc2cnc(Cl)cc2n1S(C)(=O)=O.
What is the InChIKey of 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine?
The InChIKey is WXLRPEDGPPUTQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-17-6-4-3-5-11(17)13-7-10-9-16-14(15)8-12(10)18(13)21(2,19)20/h7-9,11H,3-6H2,1-2H3/t11-/m1/s1.
What are the key properties of 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine?
6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine has a molecular weight of 327.84 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2R)-1-methylpiperidin-2-yl]-1-methylsulfonylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 171474799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).