2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine

C13H8F3NO — CID 24814733

IUPAC2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(n1)oc1ccccc12
InChIInChI=1S/C13H8F3NO/c1-7-6-9(13(14,15)16)11-8-4-2-3-5-10(8)18-12(11)17-7/h2-6H,1H3
InChIKeyOJLUFGFCSAZCCZ-UHFFFAOYSA-N
MW251.21 g/mol
LogP4.31
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine

2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 24814733) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID24814733
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(n1)oc1ccccc12
InChIInChI=1S/C13H8F3NO/c1-7-6-9(13(14,15)16)11-8-4-2-3-5-10(8)18-12(11)17-7/h2-6H,1H3
InChIKeyOJLUFGFCSAZCCZ-UHFFFAOYSA-N
XLogP4.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine (CID 24814733) is 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine is Cc1cc(C(F)(F)F)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OJLUFGFCSAZCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c1-7-6-9(13(14,15)16)11-8-4-2-3-5-10(8)18-12(11)17-7/h2-6H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 251.21 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 24814733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).