2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine

C10H12N2S — CID 130335982

IUPAC2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine
SMILESCSc1c(C)[nH]c2ccc(C)nc12
InChIInChI=1S/C10H12N2S/c1-6-4-5-8-9(11-6)10(13-3)7(2)12-8/h4-5,12H,1-3H3
InChIKeyCTIACHBAVIXNOY-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.90
Rot. Bonds1

About 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine

2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 130335982) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID130335982
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine
SMILESCSc1c(C)[nH]c2ccc(C)nc12
InChIInChI=1S/C10H12N2S/c1-6-4-5-8-9(11-6)10(13-3)7(2)12-8/h4-5,12H,1-3H3
InChIKeyCTIACHBAVIXNOY-UHFFFAOYSA-N
XLogP2.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89049721
2,5-dimethyl-3-(3-methylsulfonylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 151223265
3,5-dimethyl-1H-pyrrolo[3,2-b]pyridine;ethane
CID 144820313
5-methoxy-2-(1-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
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3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine
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5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
CID 154715961
5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
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2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783
7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole
CID 129133342
4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine (CID 130335982) is 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine is CSc1c(C)[nH]c2ccc(C)nc12.
What is the InChIKey of 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is CTIACHBAVIXNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-6-4-5-8-9(11-6)10(13-3)7(2)12-8/h4-5,12H,1-3H3.
What are the key properties of 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine?
2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 192.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 130335982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).