6-chlorofuro[3,2-c]pyridine-7-carbaldehyde

C8H4ClNO2 — CID 82408053

IUPAC6-chlorofuro[3,2-c]pyridine-7-carbaldehyde
SMILESO=Cc1c(Cl)ncc2ccoc12
InChIInChI=1S/C8H4ClNO2/c9-8-6(4-11)7-5(3-10-8)1-2-12-7/h1-4H
InChIKeyRFXCRWAHVKWNAM-UHFFFAOYSA-N
MW181.58 g/mol
LogP2.29
Rot. Bonds1

About 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde

6-chlorofuro[3,2-c]pyridine-7-carbaldehyde (PubChem CID 82408053) has the molecular formula C8H4ClNO2 and a molecular weight of 181.58 g/mol. Its IUPAC name is 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name6-chlorofuro[3,2-c]pyridine-7-carbaldehyde
PubChem CID82408053
Molecular FormulaC8H4ClNO2
Molecular Weight181.58 g/mol
Exact Mass180.99
IUPAC Name6-chlorofuro[3,2-c]pyridine-7-carbaldehyde
SMILESO=Cc1c(Cl)ncc2ccoc12
InChIInChI=1S/C8H4ClNO2/c9-8-6(4-11)7-5(3-10-8)1-2-12-7/h1-4H
InChIKeyRFXCRWAHVKWNAM-UHFFFAOYSA-N
XLogP2.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde?
The IUPAC name of 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde (CID 82408053) is 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde.
What is the SMILES notation for 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde?
The canonical SMILES for 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde is O=Cc1c(Cl)ncc2ccoc12.
What is the InChIKey of 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde?
The InChIKey is RFXCRWAHVKWNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2/c9-8-6(4-11)7-5(3-10-8)1-2-12-7/h1-4H.
What are the key properties of 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde?
6-chlorofuro[3,2-c]pyridine-7-carbaldehyde has a molecular weight of 181.58 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorofuro[3,2-c]pyridine-7-carbaldehyde is sourced from PubChem (CID 82408053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).