4-chloro-2H-furo[3,2-b]pyridine

C7H6ClNO — CID 87542445

IUPAC4-chloro-2H-furo[3,2-b]pyridine
SMILESClN1C=CC=C2OCC=C21
InChIInChI=1S/C7H6ClNO/c8-9-4-1-2-7-6(9)3-5-10-7/h1-4H,5H2
InChIKeyGOGJXGGEWYKEDN-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.77
Rot. Bonds

About 4-chloro-2H-furo[3,2-b]pyridine

4-chloro-2H-furo[3,2-b]pyridine (PubChem CID 87542445) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 4-chloro-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name4-chloro-2H-furo[3,2-b]pyridine
PubChem CID87542445
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name4-chloro-2H-furo[3,2-b]pyridine
SMILESClN1C=CC=C2OCC=C21
InChIInChI=1S/C7H6ClNO/c8-9-4-1-2-7-6(9)3-5-10-7/h1-4H,5H2
InChIKeyGOGJXGGEWYKEDN-UHFFFAOYSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-furo[3,2-b]pyridine?
The IUPAC name of 4-chloro-2H-furo[3,2-b]pyridine (CID 87542445) is 4-chloro-2H-furo[3,2-b]pyridine.
What is the SMILES notation for 4-chloro-2H-furo[3,2-b]pyridine?
The canonical SMILES for 4-chloro-2H-furo[3,2-b]pyridine is ClN1C=CC=C2OCC=C21.
What is the InChIKey of 4-chloro-2H-furo[3,2-b]pyridine?
The InChIKey is GOGJXGGEWYKEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-9-4-1-2-7-6(9)3-5-10-7/h1-4H,5H2.
What are the key properties of 4-chloro-2H-furo[3,2-b]pyridine?
4-chloro-2H-furo[3,2-b]pyridine has a molecular weight of 155.58 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 87542445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).