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

C21H18INO — CID 170660676

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3cc(I)oc23)cc2ccccc12
InChIInChI=1S/C21H18INO/c1-21(2,3)17-11-15(10-13-6-4-5-7-16(13)17)19-20-14(8-9-23-19)12-18(22)24-20/h4-12H,1-3H3
InChIKeyYFHHHSYDVKQYDD-UHFFFAOYSA-N
MW427.29 g/mol
LogP6.55
Rot. Bonds1

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

7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine (PubChem CID 170660676) has the molecular formula C21H18INO and a molecular weight of 427.29 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
PubChem CID170660676
Molecular FormulaC21H18INO
Molecular Weight427.29 g/mol
Exact Mass427.04
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nccc3cc(I)oc23)cc2ccccc12
InChIInChI=1S/C21H18INO/c1-21(2,3)17-11-15(10-13-6-4-5-7-16(13)17)19-20-14(8-9-23-19)12-18(22)24-20/h4-12H,1-3H3
InChIKeyYFHHHSYDVKQYDD-UHFFFAOYSA-N
XLogP6.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.55
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-iodofuro[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine (CID 170660676) is 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine is CC(C)(C)c1cc(-c2nccc3cc(I)oc23)cc2ccccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine?
The InChIKey is YFHHHSYDVKQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18INO/c1-21(2,3)17-11-15(10-13-6-4-5-7-16(13)17)19-20-14(8-9-23-19)12-18(22)24-20/h4-12H,1-3H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine has a molecular weight of 427.29 g/mol, XLogP of 6.55, 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-iodofuro[2,3-c]pyridine is sourced from PubChem (CID 170660676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).