Skip to content

2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C22H17F3N2O — CID 156636162

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESC/C(=C(/C)C(F)(F)F)c1ccnc(-c2cccc3c2oc2nc(C)ccc23)c1
InChIInChI=1S/C22H17F3N2O/c1-12-7-8-17-16-5-4-6-18(20(16)28-21(17)27-12)19-11-15(9-10-26-19)13(2)14(3)22(23,24)25/h4-11H,1-3H3/b14-13+
InChIKeyXQJPJTLQSRGKED-BUHFOSPRSA-N
MW382.39 g/mol
LogP6.71
Rot. Bonds2

About 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156636162) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156636162
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESC/C(=C(/C)C(F)(F)F)c1ccnc(-c2cccc3c2oc2nc(C)ccc23)c1
InChIInChI=1S/C22H17F3N2O/c1-12-7-8-17-16-5-4-6-18(20(16)28-21(17)27-12)19-11-15(9-10-26-19)13(2)14(3)22(23,24)25/h4-11H,1-3H3/b14-13+
InChIKeyXQJPJTLQSRGKED-BUHFOSPRSA-N
XLogP6.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 156636162) is 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is C/C(=C(/C)C(F)(F)F)c1ccnc(-c2cccc3c2oc2nc(C)ccc23)c1.
What is the InChIKey of 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XQJPJTLQSRGKED-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-12-7-8-17-16-5-4-6-18(20(16)28-21(17)27-12)19-11-15(9-10-26-19)13(2)14(3)22(23,24)25/h4-11H,1-3H3/b14-13+.
What are the key properties of 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 382.39 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-[(E)-4,4,4-trifluoro-3-methylbut-2-en-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156636162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.