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

C12H9NO — CID 70243457

IUPAC4-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccnc2oc3ccccc3c12
InChIInChI=1S/C12H9NO/c1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12/h2-7H,1H3
InChIKeyVSUFJQOLWPKCOX-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.29
Rot. Bonds

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

4-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 70243457) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID70243457
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name4-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccnc2oc3ccccc3c12
InChIInChI=1S/C12H9NO/c1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12/h2-7H,1H3
InChIKeyVSUFJQOLWPKCOX-UHFFFAOYSA-N
XLogP3.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 4-methyl-[1]benzofuro[2,3-b]pyridine (CID 70243457) is 4-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 4-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 4-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccnc2oc3ccccc3c12.
What is the InChIKey of 4-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is VSUFJQOLWPKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12/h2-7H,1H3.
What are the key properties of 4-methyl-[1]benzofuro[2,3-b]pyridine?
4-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 183.21 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 70243457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).