2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine

C12H9FN2O — CID 59644002

IUPAC2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine
SMILESFc1cnc2c(c1)Nc1ccccc1OC2
InChIInChI=1S/C12H9FN2O/c13-8-5-10-11(14-6-8)7-16-12-4-2-1-3-9(12)15-10/h1-6,15H,7H2
InChIKeyIAZOBCRTTMYFEN-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.86
Rot. Bonds

About 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine

2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine (PubChem CID 59644002) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine.

Molecular Properties

Compound Name2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine
PubChem CID59644002
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine
SMILESFc1cnc2c(c1)Nc1ccccc1OC2
InChIInChI=1S/C12H9FN2O/c13-8-5-10-11(14-6-8)7-16-12-4-2-1-3-9(12)15-10/h1-6,15H,7H2
InChIKeyIAZOBCRTTMYFEN-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine?
The IUPAC name of 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine (CID 59644002) is 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine.
What is the SMILES notation for 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine?
The canonical SMILES for 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine is Fc1cnc2c(c1)Nc1ccccc1OC2.
What is the InChIKey of 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine?
The InChIKey is IAZOBCRTTMYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-8-5-10-11(14-6-8)7-16-12-4-2-1-3-9(12)15-10/h1-6,15H,7H2.
What are the key properties of 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine?
2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine has a molecular weight of 216.22 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine is sourced from PubChem (CID 59644002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).