4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine

C14H11BrN2OS — CID 143521455

IUPAC4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)n2ccc3c(Br)ccnc32)cc1
InChIInChI=1S/C14H11BrN2OS/c1-10-2-4-11(5-3-10)19(18)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3
InChIKeyFZNVMYRIQIJZAA-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.68
Rot. Bonds2

About 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine

4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine (PubChem CID 143521455) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine
PubChem CID143521455
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)n2ccc3c(Br)ccnc32)cc1
InChIInChI=1S/C14H11BrN2OS/c1-10-2-4-11(5-3-10)19(18)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3
InChIKeyFZNVMYRIQIJZAA-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine (CID 143521455) is 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)n2ccc3c(Br)ccnc32)cc1.
What is the InChIKey of 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
The InChIKey is FZNVMYRIQIJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-10-2-4-11(5-3-10)19(18)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3.
What are the key properties of 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine?
4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine has a molecular weight of 335.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143521455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).