6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane

C11H15BrN2 — CID 144813636

IUPAC6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
SMILESCC.CCc1c[nH]c2cc(Br)ncc12
InChIInChI=1S/C9H9BrN2.C2H6/c1-2-6-4-11-8-3-9(10)12-5-7(6)8;1-2/h3-5,11H,2H2,1H3;1-2H3
InChIKeyJCIFYQQOUREHAQ-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.91
Rot. Bonds1

About 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane

6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane (PubChem CID 144813636) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane.

Molecular Properties

Compound Name6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
PubChem CID144813636
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
SMILESCC.CCc1c[nH]c2cc(Br)ncc12
InChIInChI=1S/C9H9BrN2.C2H6/c1-2-6-4-11-8-3-9(10)12-5-7(6)8;1-2/h3-5,11H,2H2,1H3;1-2H3
InChIKeyJCIFYQQOUREHAQ-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The IUPAC name of 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane (CID 144813636) is 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane.
What is the SMILES notation for 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The canonical SMILES for 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane is CC.CCc1c[nH]c2cc(Br)ncc12.
What is the InChIKey of 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
The InChIKey is JCIFYQQOUREHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2.C2H6/c1-2-6-4-11-8-3-9(10)12-5-7(6)8;1-2/h3-5,11H,2H2,1H3;1-2H3.
What are the key properties of 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane?
6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane has a molecular weight of 255.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane is sourced from PubChem (CID 144813636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).