6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine

C11H13ClN2OS — CID 130257470

IUPAC6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
SMILESCC(C)n1cc(S(C)=O)c2cnc(Cl)cc21
InChIInChI=1S/C11H13ClN2OS/c1-7(2)14-6-10(16(3)15)8-5-13-11(12)4-9(8)14/h4-7H,1-3H3
InChIKeyHTIXWTHWKGBJOV-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.01
Rot. Bonds2

About 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine

6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine (PubChem CID 130257470) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
PubChem CID130257470
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
SMILESCC(C)n1cc(S(C)=O)c2cnc(Cl)cc21
InChIInChI=1S/C11H13ClN2OS/c1-7(2)14-6-10(16(3)15)8-5-13-11(12)4-9(8)14/h4-7H,1-3H3
InChIKeyHTIXWTHWKGBJOV-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24740150
7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one
CID 167949901
5-chloro-1-propan-2-ylpyrazolo[3,4-c]pyridine
CID 176811583
3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 139383710
6-chloro-1-propan-2-ylindole-3-carbaldehyde
CID 117122246
6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
CID 90176744
3-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methylbutan-2-one;ethane
CID 156836099
2-(6-bromo-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl)ethynyl-trimethyl-λ4-sulfane
CID 134251245
1-(6-chloro-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)azetidine-3-carboxylate
CID 131749530
6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
CID 166546752
3,5-dichloro-1-propan-2-ylindole
CID 166553086
5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridine
CID 141136063

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine (CID 130257470) is 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine is CC(C)n1cc(S(C)=O)c2cnc(Cl)cc21.
What is the InChIKey of 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The InChIKey is HTIXWTHWKGBJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7(2)14-6-10(16(3)15)8-5-13-11(12)4-9(8)14/h4-7H,1-3H3.
What are the key properties of 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine has a molecular weight of 256.76 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylsulfinyl-1-propan-2-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 130257470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).