1-chloro-[1]benzofuro[3,2-c]pyridine

C11H6ClNO — CID 88959578

IUPAC1-chloro-[1]benzofuro[3,2-c]pyridine
SMILESClc1nccc2oc3ccccc3c12
InChIInChI=1S/C11H6ClNO/c12-11-10-7-3-1-2-4-8(7)14-9(10)5-6-13-11/h1-6H
InChIKeyCJUBTISJWGFEAM-UHFFFAOYSA-N
MW203.63 g/mol
LogP3.63
Rot. Bonds

About 1-chloro-[1]benzofuro[3,2-c]pyridine

1-chloro-[1]benzofuro[3,2-c]pyridine (PubChem CID 88959578) has the molecular formula C11H6ClNO and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-chloro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-chloro-[1]benzofuro[3,2-c]pyridine
PubChem CID88959578
Molecular FormulaC11H6ClNO
Molecular Weight203.63 g/mol
Exact Mass203.01
IUPAC Name1-chloro-[1]benzofuro[3,2-c]pyridine
SMILESClc1nccc2oc3ccccc3c12
InChIInChI=1S/C11H6ClNO/c12-11-10-7-3-1-2-4-8(7)14-9(10)5-6-13-11/h1-6H
InChIKeyCJUBTISJWGFEAM-UHFFFAOYSA-N
XLogP3.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 53.63
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 1-chloro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-chloro-[1]benzofuro[3,2-c]pyridine (CID 88959578) is 1-chloro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-chloro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-chloro-[1]benzofuro[3,2-c]pyridine is Clc1nccc2oc3ccccc3c12.
What is the InChIKey of 1-chloro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is CJUBTISJWGFEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO/c12-11-10-7-3-1-2-4-8(7)14-9(10)5-6-13-11/h1-6H.
What are the key properties of 1-chloro-[1]benzofuro[3,2-c]pyridine?
1-chloro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 203.63 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 88959578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).