4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine

C11H11BrN2O2S — CID 118240708

IUPAC4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine
SMILESCc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C11H11BrN2O2S/c1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyOATOIGGNPVSKAN-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine

4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine (PubChem CID 118240708) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine
PubChem CID118240708
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine
SMILESCc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C11H11BrN2O2S/c1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyOATOIGGNPVSKAN-UHFFFAOYSA-N
XLogP2.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine (CID 118240708) is 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine is Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.
What is the InChIKey of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine?
The InChIKey is OATOIGGNPVSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine?
4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine has a molecular weight of 315.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 118240708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).