2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C13H11NO — CID 122520461

IUPAC2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(c1)oc1nc(C)ccc12
InChIInChI=1S/C13H11NO/c1-8-3-5-10-11-6-4-9(2)14-13(11)15-12(10)7-8/h3-7H,1-2H3
InChIKeyIVRNJQNOPMGCCO-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.60
Rot. Bonds

About 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 122520461) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID122520461
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(c1)oc1nc(C)ccc12
InChIInChI=1S/C13H11NO/c1-8-3-5-10-11-6-4-9(2)14-13(11)15-12(10)7-8/h3-7H,1-2H3
InChIKeyIVRNJQNOPMGCCO-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 122520461) is 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(c1)oc1nc(C)ccc12.
What is the InChIKey of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IVRNJQNOPMGCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-8-3-5-10-11-6-4-9(2)14-13(11)15-12(10)7-8/h3-7H,1-2H3.
What are the key properties of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 197.24 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 122520461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).