3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine

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CAS
1000340-39-5
Size
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Purity
96%
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Catalog Number

ACM1000340395

Product Name

3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine

Structure

Structure

CAS

1000340-39-5

Category

Bromine Series

Synonyms

1H-Pyrrolo[2,3-b]pyridine, 3-bromo-4-chloro-;3-BROMO-4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE;3-BROMO-4-CHLORO-7-AZAINDOLE

IUPAC Name

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

Molecular Weight

231.48

Molecular Formula

C₇H₄BrClN₂

Canonical SMILES

C1=CN=C2C(=C1Cl)C(=CN2)Br

InChI Key

QLGXTRWCWHBPDP-UHFFFAOYSA-N

Boiling Point

350.468ºC at 760 mmHg

Melting Point

214-215ºC

Flash Point

165.757ºC

Density

1.878

Exact Mass

229.92500

H-Bond Acceptor

1

H-Bond Donor

1

SpecificGravity

1.878g/mL

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The molecular formula is C7H4BrClN2.

What is the molecular weight of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The molecular weight is 231.48 g/mol.

What is the IUPAC name of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name is 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine.

What is the InChI of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The InChI is: InChI=1S/C7H4BrClN2/c8-4-3-11-7-6(4)5(9)1-2-10-7/h1-3H,(H,10,11).

What is the InChIKey of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is QLGXTRWCWHBPDP-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES is C1=CN=C2C(=C1Cl)C(=CN2)Br.

What is the CAS number of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The CAS number is 1000340-39-5.

What is the XLogP3-AA value of 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine?

The XLogP3-AA value is 2.6.

Is 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine a canonicalized compound?

Yes, the compound is canonicalized.

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