(3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine

C7H4BrFN2 — CID 126421750

IUPAC(3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine
SMILESFC1=C(Br)[C@@H]2C=CN=C2N=C1
InChIInChI=1S/C7H4BrFN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-4H/t4-/m0/s1
InChIKeyGKCPRFPTXUVBHA-BYPYZUCNSA-N
MW215.03 g/mol
LogP2.19
Rot. Bonds

About (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine

(3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 126421750) has the molecular formula C7H4BrFN2 and a molecular weight of 215.03 g/mol. Its IUPAC name is (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine
PubChem CID126421750
Molecular FormulaC7H4BrFN2
Molecular Weight215.03 g/mol
Exact Mass213.95
IUPAC Name(3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine
SMILESFC1=C(Br)[C@@H]2C=CN=C2N=C1
InChIInChI=1S/C7H4BrFN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-4H/t4-/m0/s1
InChIKeyGKCPRFPTXUVBHA-BYPYZUCNSA-N
XLogP2.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine (CID 126421750) is (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine is FC1=C(Br)[C@@H]2C=CN=C2N=C1.
What is the InChIKey of (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is GKCPRFPTXUVBHA-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H4BrFN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-4H/t4-/m0/s1.
What are the key properties of (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine?
(3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 215.03 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-4-bromo-5-fluoro-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 126421750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).