methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate

C26H16F2N2O3 — CID 11532303

IUPACmethyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C26H16F2N2O3/c1-32-26(31)21-14-20-22(15-2-6-18(27)7-3-15)23(16-10-12-29-13-11-16)24(30-25(20)33-21)17-4-8-19(28)9-5-17/h2-14H,1H3
InChIKeyHLYWMQIYJHJKJV-UHFFFAOYSA-N
MW442.42 g/mol
LogP6.29
Rot. Bonds4

About methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate

methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 11532303) has the molecular formula C26H16F2N2O3 and a molecular weight of 442.42 g/mol. Its IUPAC name is methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate
PubChem CID11532303
Molecular FormulaC26H16F2N2O3
Molecular Weight442.42 g/mol
Exact Mass442.11
IUPAC Namemethyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C26H16F2N2O3/c1-32-26(31)21-14-20-22(15-2-6-18(27)7-3-15)23(16-10-12-29-13-11-16)24(30-25(20)33-21)17-4-8-19(28)9-5-17/h2-14H,1H3
InChIKeyHLYWMQIYJHJKJV-UHFFFAOYSA-N
XLogP6.29
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate (CID 11532303) is methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is HLYWMQIYJHJKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N2O3/c1-32-26(31)21-14-20-22(15-2-6-18(27)7-3-15)23(16-10-12-29-13-11-16)24(30-25(20)33-21)17-4-8-19(28)9-5-17/h2-14H,1H3.
What are the key properties of methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate?
methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 442.42 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 11532303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).