2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine

C15H14N2O2S — CID 58357254

IUPAC2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(S(C)=O)ccc1C1=Nc2ncccc2C1
InChIInChI=1S/C15H14N2O2S/c1-19-14-9-11(20(2)18)5-6-12(14)13-8-10-4-3-7-16-15(10)17-13/h3-7,9H,8H2,1-2H3
InChIKeyNDRVQEIMVJCRLG-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine

2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine (PubChem CID 58357254) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine
PubChem CID58357254
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(S(C)=O)ccc1C1=Nc2ncccc2C1
InChIInChI=1S/C15H14N2O2S/c1-19-14-9-11(20(2)18)5-6-12(14)13-8-10-4-3-7-16-15(10)17-13/h3-7,9H,8H2,1-2H3
InChIKeyNDRVQEIMVJCRLG-UHFFFAOYSA-N
XLogP2.50
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 44525560
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 53311304
5-(3-Fluoro-4-methylsulfonyl-phenyl)-3-(6-methoxy-3-pyridyl)pyridin-2-amine
CID 53311568
2-(2-Methoxy-4-(methylsulfinyl)phenyl)imidazo[1,2-a]pyrazine
CID 14116989
3-[4-(Methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849
4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 741470
3-(2-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311134
3-(6-Methoxy-3-pyridyl)-5-(3-methylsulfonylphenyl)pyridin-2-amine
CID 53312147
3-(6-methoxy-3-pyridyl)-N-methyl-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 72711192
N,N-diethyl-6-[(2-methoxyphenyl)methyl-methylamino]pyridine-3-sulfonamide
CID 4792332
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 53311305
4-(3-Fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine
CID 123601721

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine (CID 58357254) is 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine is COc1cc(S(C)=O)ccc1C1=Nc2ncccc2C1.
What is the InChIKey of 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is NDRVQEIMVJCRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-14-9-11(20(2)18)5-6-12(14)13-8-10-4-3-7-16-15(10)17-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine?
2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 286.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylsulfinylphenyl)-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58357254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).