3-bromo-1H-pyrrolo[3,2-g]isoquinoline

C11H7BrN2 — CID 177383219

IUPAC3-bromo-1H-pyrrolo[3,2-g]isoquinoline
SMILESBrc1c[nH]c2cc3cnccc3cc12
InChIInChI=1S/C11H7BrN2/c12-10-6-14-11-4-8-5-13-2-1-7(8)3-9(10)11/h1-6,14H
InChIKeyNXBHOGUUOJAZBN-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.48
Rot. Bonds

About 3-bromo-1H-pyrrolo[3,2-g]isoquinoline

3-bromo-1H-pyrrolo[3,2-g]isoquinoline (PubChem CID 177383219) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 3-bromo-1H-pyrrolo[3,2-g]isoquinoline.

Molecular Properties

Compound Name3-bromo-1H-pyrrolo[3,2-g]isoquinoline
PubChem CID177383219
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name3-bromo-1H-pyrrolo[3,2-g]isoquinoline
SMILESBrc1c[nH]c2cc3cnccc3cc12
InChIInChI=1S/C11H7BrN2/c12-10-6-14-11-4-8-5-13-2-1-7(8)3-9(10)11/h1-6,14H
InChIKeyNXBHOGUUOJAZBN-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 3-bromo-1H-pyrrolo[3,2-g]isoquinoline?
The IUPAC name of 3-bromo-1H-pyrrolo[3,2-g]isoquinoline (CID 177383219) is 3-bromo-1H-pyrrolo[3,2-g]isoquinoline.
What is the SMILES notation for 3-bromo-1H-pyrrolo[3,2-g]isoquinoline?
The canonical SMILES for 3-bromo-1H-pyrrolo[3,2-g]isoquinoline is Brc1c[nH]c2cc3cnccc3cc12.
What is the InChIKey of 3-bromo-1H-pyrrolo[3,2-g]isoquinoline?
The InChIKey is NXBHOGUUOJAZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-10-6-14-11-4-8-5-13-2-1-7(8)3-9(10)11/h1-6,14H.
What are the key properties of 3-bromo-1H-pyrrolo[3,2-g]isoquinoline?
3-bromo-1H-pyrrolo[3,2-g]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 3-bromo-1H-pyrrolo[3,2-g]isoquinoline is sourced from PubChem (CID 177383219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).