3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H6BrClN2 — CID 126690771

IUPAC3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1=Cc2c(Br)c[nH]c2NC1
InChIInChI=1S/C7H6BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1,3,10-11H,2H2
InChIKeyQAWXCMHMVINBDQ-UHFFFAOYSA-N
MW233.50 g/mol
LogP2.78
Rot. Bonds

About 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine

3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 126690771) has the molecular formula C7H6BrClN2 and a molecular weight of 233.50 g/mol. Its IUPAC name is 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID126690771
Molecular FormulaC7H6BrClN2
Molecular Weight233.50 g/mol
Exact Mass231.94
IUPAC Name3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1=Cc2c(Br)c[nH]c2NC1
InChIInChI=1S/C7H6BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1,3,10-11H,2H2
InChIKeyQAWXCMHMVINBDQ-UHFFFAOYSA-N
XLogP2.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 126690771) is 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine is ClC1=Cc2c(Br)c[nH]c2NC1.
What is the InChIKey of 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QAWXCMHMVINBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1,3,10-11H,2H2.
What are the key properties of 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 233.50 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 126690771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).