7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine

C9H9ClN2S — CID 3531131

IUPAC7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine
SMILESCSc1c(C)[nH]c2c(Cl)nccc12
InChIInChI=1S/C9H9ClN2S/c1-5-8(13-2)6-3-4-11-9(10)7(6)12-5/h3-4,12H,1-2H3
InChIKeyOWTCGLDSMQLDTQ-UHFFFAOYSA-N
MW212.71 g/mol
LogP3.25
Rot. Bonds1

About 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine

7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 3531131) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID3531131
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine
SMILESCSc1c(C)[nH]c2c(Cl)nccc12
InChIInChI=1S/C9H9ClN2S/c1-5-8(13-2)6-3-4-11-9(10)7(6)12-5/h3-4,12H,1-2H3
InChIKeyOWTCGLDSMQLDTQ-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine (CID 3531131) is 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine is CSc1c(C)[nH]c2c(Cl)nccc12.
What is the InChIKey of 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is OWTCGLDSMQLDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-5-8(13-2)6-3-4-11-9(10)7(6)12-5/h3-4,12H,1-2H3.
What are the key properties of 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine?
7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 212.71 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 3531131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).