7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine

C22H20INO — CID 170660648

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
SMILESCc1c(I)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C22H20INO/c1-13-16-9-10-24-19(20(16)25-21(13)23)15-11-14-7-5-6-8-17(14)18(12-15)22(2,3)4/h5-12H,1-4H3
InChIKeyMCXCYWLIKGUSGS-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.86
Rot. Bonds1

About 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine (PubChem CID 170660648) has the molecular formula C22H20INO and a molecular weight of 441.31 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
PubChem CID170660648
Molecular FormulaC22H20INO
Molecular Weight441.31 g/mol
Exact Mass441.06
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
SMILESCc1c(I)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C22H20INO/c1-13-16-9-10-24-19(20(16)25-21(13)23)15-11-14-7-5-6-8-17(14)18(12-15)22(2,3)4/h5-12H,1-4H3
InChIKeyMCXCYWLIKGUSGS-UHFFFAOYSA-N
XLogP6.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine (CID 170660648) is 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine is Cc1c(I)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine?
The InChIKey is MCXCYWLIKGUSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20INO/c1-13-16-9-10-24-19(20(16)25-21(13)23)15-11-14-7-5-6-8-17(14)18(12-15)22(2,3)4/h5-12H,1-4H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine has a molecular weight of 441.31 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine is sourced from PubChem (CID 170660648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).