7-bromo-3H-pyrrolo[2,3-c]isoquinoline

C11H7BrN2 — CID 90046653

IUPAC7-bromo-3H-pyrrolo[2,3-c]isoquinoline
SMILESBrc1ccc2c(cnc3[nH]ccc32)c1
InChIInChI=1S/C11H7BrN2/c12-8-1-2-9-7(5-8)6-14-11-10(9)3-4-13-11/h1-6H,(H,13,14)
InChIKeySWEUPXJTMWBJIZ-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.48
Rot. Bonds

About 7-bromo-3H-pyrrolo[2,3-c]isoquinoline

7-bromo-3H-pyrrolo[2,3-c]isoquinoline (PubChem CID 90046653) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 7-bromo-3H-pyrrolo[2,3-c]isoquinoline.

Molecular Properties

Compound Name7-bromo-3H-pyrrolo[2,3-c]isoquinoline
PubChem CID90046653
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name7-bromo-3H-pyrrolo[2,3-c]isoquinoline
SMILESBrc1ccc2c(cnc3[nH]ccc32)c1
InChIInChI=1S/C11H7BrN2/c12-8-1-2-9-7(5-8)6-14-11-10(9)3-4-13-11/h1-6H,(H,13,14)
InChIKeySWEUPXJTMWBJIZ-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3H-pyrrolo[2,3-c]isoquinoline?
The IUPAC name of 7-bromo-3H-pyrrolo[2,3-c]isoquinoline (CID 90046653) is 7-bromo-3H-pyrrolo[2,3-c]isoquinoline.
What is the SMILES notation for 7-bromo-3H-pyrrolo[2,3-c]isoquinoline?
The canonical SMILES for 7-bromo-3H-pyrrolo[2,3-c]isoquinoline is Brc1ccc2c(cnc3[nH]ccc32)c1.
What is the InChIKey of 7-bromo-3H-pyrrolo[2,3-c]isoquinoline?
The InChIKey is SWEUPXJTMWBJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-8-1-2-9-7(5-8)6-14-11-10(9)3-4-13-11/h1-6H,(H,13,14).
What are the key properties of 7-bromo-3H-pyrrolo[2,3-c]isoquinoline?
7-bromo-3H-pyrrolo[2,3-c]isoquinoline has a molecular weight of 247.10 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3H-pyrrolo[2,3-c]isoquinoline is sourced from PubChem (CID 90046653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).