5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C11H9BrN4 — CID 59186574

IUPAC5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(Br)cc23)cn1
InChIInChI=1S/C11H9BrN4/c1-16-6-7(3-15-16)10-5-14-11-9(10)2-8(12)4-13-11/h2-6H,1H3,(H,13,14)
InChIKeyAQIIPXFEHJHSGX-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.73
Rot. Bonds1

About 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59186574) has the molecular formula C11H9BrN4 and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59186574
Molecular FormulaC11H9BrN4
Molecular Weight277.12 g/mol
Exact Mass276.00
IUPAC Name5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(Br)cc23)cn1
InChIInChI=1S/C11H9BrN4/c1-16-6-7(3-15-16)10-5-14-11-9(10)2-8(12)4-13-11/h2-6H,1H3,(H,13,14)
InChIKeyAQIIPXFEHJHSGX-UHFFFAOYSA-N
XLogP2.73
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59186574) is 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3ncc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AQIIPXFEHJHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c1-16-6-7(3-15-16)10-5-14-11-9(10)2-8(12)4-13-11/h2-6H,1H3,(H,13,14).
What are the key properties of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 277.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59186574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).