8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C24H16F2N2O — CID 90138359

IUPAC8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ncccc3-c3ccc(F)c(F)c3)c(C)ccc12
InChIInChI=1S/C24H16F2N2O/c1-13-5-8-17-18-9-6-14(2)28-24(18)29-23(17)21(13)22-16(4-3-11-27-22)15-7-10-19(25)20(26)12-15/h3-12H,1-2H3
InChIKeyXGKDVDQNPHGAMI-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.61
Rot. Bonds2

About 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138359) has the molecular formula C24H16F2N2O and a molecular weight of 386.40 g/mol. Its IUPAC name is 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90138359
Molecular FormulaC24H16F2N2O
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ncccc3-c3ccc(F)c(F)c3)c(C)ccc12
InChIInChI=1S/C24H16F2N2O/c1-13-5-8-17-18-9-6-14(2)28-24(18)29-23(17)21(13)22-16(4-3-11-27-22)15-7-10-19(25)20(26)12-15/h3-12H,1-2H3
InChIKeyXGKDVDQNPHGAMI-UHFFFAOYSA-N
XLogP6.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 90138359) is 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ncccc3-c3ccc(F)c(F)c3)c(C)ccc12.
What is the InChIKey of 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XGKDVDQNPHGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O/c1-13-5-8-17-18-9-6-14(2)28-24(18)29-23(17)21(13)22-16(4-3-11-27-22)15-7-10-19(25)20(26)12-15/h3-12H,1-2H3.
What are the key properties of 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 386.40 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3,4-difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).