6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine

C9H11BrN2 — CID 86724005

IUPAC6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNc2cc(Br)ncc21
InChIInChI=1S/C9H11BrN2/c1-9(2)5-12-7-3-8(10)11-4-6(7)9/h3-4,12H,5H2,1-2H3
InChIKeyQPLYFFUXOGTGFD-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.55
Rot. Bonds

About 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine

6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine (PubChem CID 86724005) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
PubChem CID86724005
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNc2cc(Br)ncc21
InChIInChI=1S/C9H11BrN2/c1-9(2)5-12-7-3-8(10)11-4-6(7)9/h3-4,12H,5H2,1-2H3
InChIKeyQPLYFFUXOGTGFD-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine (CID 86724005) is 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine is CC1(C)CNc2cc(Br)ncc21.
What is the InChIKey of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is QPLYFFUXOGTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-9(2)5-12-7-3-8(10)11-4-6(7)9/h3-4,12H,5H2,1-2H3.
What are the key properties of 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 227.10 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 86724005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).