5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine

C8H5BrClNO — CID 133057910

IUPAC5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine
SMILESClc1cc2cc(CBr)cnc2o1
InChIInChI=1S/C8H5BrClNO/c9-3-5-1-6-2-7(10)12-8(6)11-4-5/h1-2,4H,3H2
InChIKeyQTSMINPGQNFKOV-UHFFFAOYSA-N
MW246.49 g/mol
LogP3.38
Rot. Bonds1

About 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine

5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine (PubChem CID 133057910) has the molecular formula C8H5BrClNO and a molecular weight of 246.49 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine
PubChem CID133057910
Molecular FormulaC8H5BrClNO
Molecular Weight246.49 g/mol
Exact Mass244.92
IUPAC Name5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine
SMILESClc1cc2cc(CBr)cnc2o1
InChIInChI=1S/C8H5BrClNO/c9-3-5-1-6-2-7(10)12-8(6)11-4-5/h1-2,4H,3H2
InChIKeyQTSMINPGQNFKOV-UHFFFAOYSA-N
XLogP3.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine?
The IUPAC name of 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine (CID 133057910) is 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine?
The canonical SMILES for 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine is Clc1cc2cc(CBr)cnc2o1.
What is the InChIKey of 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine?
The InChIKey is QTSMINPGQNFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO/c9-3-5-1-6-2-7(10)12-8(6)11-4-5/h1-2,4H,3H2.
What are the key properties of 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine?
5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine has a molecular weight of 246.49 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine is sourced from PubChem (CID 133057910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).