3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine

C7H3BrCl2N2 — CID 122173361

IUPAC3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]cc(Br)c2c1Cl
InChIInChI=1S/C7H3BrCl2N2/c8-3-1-11-7-5(3)6(10)4(9)2-12-7/h1-2H,(H,11,12)
InChIKeyZWNQGGSYTPHGRK-UHFFFAOYSA-N
MW265.93 g/mol
LogP3.63
Rot. Bonds

About 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine

3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122173361) has the molecular formula C7H3BrCl2N2 and a molecular weight of 265.93 g/mol. Its IUPAC name is 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
PubChem CID122173361
Molecular FormulaC7H3BrCl2N2
Molecular Weight265.93 g/mol
Exact Mass263.89
IUPAC Name3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]cc(Br)c2c1Cl
InChIInChI=1S/C7H3BrCl2N2/c8-3-1-11-7-5(3)6(10)4(9)2-12-7/h1-2H,(H,11,12)
InChIKeyZWNQGGSYTPHGRK-UHFFFAOYSA-N
XLogP3.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.93
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine (CID 122173361) is 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine is Clc1cnc2[nH]cc(Br)c2c1Cl.
What is the InChIKey of 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZWNQGGSYTPHGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2N2/c8-3-1-11-7-5(3)6(10)4(9)2-12-7/h1-2H,(H,11,12).
What are the key properties of 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 265.93 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122173361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).