8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine

C19H14FNO — CID 91437451

IUPAC8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine
SMILESCc1c(F)cccc1Cc1ccc2oc3cccnc3c2c1
InChIInChI=1S/C19H14FNO/c1-12-14(4-2-5-16(12)20)10-13-7-8-17-15(11-13)19-18(22-17)6-3-9-21-19/h2-9,11H,10H2,1H3
InChIKeyAHGVWWFOHORRSF-UHFFFAOYSA-N
MW291.32 g/mol
LogP5.02
Rot. Bonds2

About 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine

8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 91437451) has the molecular formula C19H14FNO and a molecular weight of 291.32 g/mol. Its IUPAC name is 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID91437451
Molecular FormulaC19H14FNO
Molecular Weight291.32 g/mol
Exact Mass291.11
IUPAC Name8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine
SMILESCc1c(F)cccc1Cc1ccc2oc3cccnc3c2c1
InChIInChI=1S/C19H14FNO/c1-12-14(4-2-5-16(12)20)10-13-7-8-17-15(11-13)19-18(22-17)6-3-9-21-19/h2-9,11H,10H2,1H3
InChIKeyAHGVWWFOHORRSF-UHFFFAOYSA-N
XLogP5.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine (CID 91437451) is 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine is Cc1c(F)cccc1Cc1ccc2oc3cccnc3c2c1.
What is the InChIKey of 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is AHGVWWFOHORRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO/c1-12-14(4-2-5-16(12)20)10-13-7-8-17-15(11-13)19-18(22-17)6-3-9-21-19/h2-9,11H,10H2,1H3.
What are the key properties of 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine?
8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 291.32 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-2-methylphenyl)methyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 91437451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).