4,6-dichlorofuro[2,3-b]pyridine

C7H3Cl2NO — CID 122129719

IUPAC4,6-dichlorofuro[2,3-b]pyridine
SMILESClc1cc(Cl)c2ccoc2n1
InChIInChI=1S/C7H3Cl2NO/c8-5-3-6(9)10-7-4(5)1-2-11-7/h1-3H
InChIKeyWLCLQVXRBAPFOV-UHFFFAOYSA-N
MW188.01 g/mol
LogP3.13
Rot. Bonds

About 4,6-dichlorofuro[2,3-b]pyridine

4,6-dichlorofuro[2,3-b]pyridine (PubChem CID 122129719) has the molecular formula C7H3Cl2NO and a molecular weight of 188.01 g/mol. Its IUPAC name is 4,6-dichlorofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4,6-dichlorofuro[2,3-b]pyridine
PubChem CID122129719
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01 g/mol
Exact Mass186.96
IUPAC Name4,6-dichlorofuro[2,3-b]pyridine
SMILESClc1cc(Cl)c2ccoc2n1
InChIInChI=1S/C7H3Cl2NO/c8-5-3-6(9)10-7-4(5)1-2-11-7/h1-3H
InChIKeyWLCLQVXRBAPFOV-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichlorofuro[2,3-b]pyridine?
The IUPAC name of 4,6-dichlorofuro[2,3-b]pyridine (CID 122129719) is 4,6-dichlorofuro[2,3-b]pyridine.
What is the SMILES notation for 4,6-dichlorofuro[2,3-b]pyridine?
The canonical SMILES for 4,6-dichlorofuro[2,3-b]pyridine is Clc1cc(Cl)c2ccoc2n1.
What is the InChIKey of 4,6-dichlorofuro[2,3-b]pyridine?
The InChIKey is WLCLQVXRBAPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO/c8-5-3-6(9)10-7-4(5)1-2-11-7/h1-3H.
What are the key properties of 4,6-dichlorofuro[2,3-b]pyridine?
4,6-dichlorofuro[2,3-b]pyridine has a molecular weight of 188.01 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichlorofuro[2,3-b]pyridine is sourced from PubChem (CID 122129719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).