11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine

C15H12FNO — CID 72556945

IUPAC11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine
SMILESCC=C1c2ccc(F)cc2OCc2ncccc21
InChIInChI=1S/C15H12FNO/c1-2-11-12-4-3-7-17-14(12)9-18-15-8-10(16)5-6-13(11)15/h2-8H,9H2,1H3
InChIKeyBAVCRKVLTSAUJP-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.56
Rot. Bonds

About 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine

11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine (PubChem CID 72556945) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine.

Molecular Properties

Compound Name11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine
PubChem CID72556945
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine
SMILESCC=C1c2ccc(F)cc2OCc2ncccc21
InChIInChI=1S/C15H12FNO/c1-2-11-12-4-3-7-17-14(12)9-18-15-8-10(16)5-6-13(11)15/h2-8H,9H2,1H3
InChIKeyBAVCRKVLTSAUJP-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
CID 59770442
(11E)-11-(bromomethylidene)-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine;(11E)-11-(bromomethylidene)-8-fluoro-6H-[2]benzoxepino[3,4-b]pyridine
CID 159489085
8-fluoro-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[3,4-b]pyridine
CID 10358036
2-[[(11E)-11-ethylidene-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]oxy]-2-methylpropanal
CID 89373558
(11Z)-8-bromo-11-(3-bromopropylidene)-5H-[1]benzoxepino[3,4-b]pyridine
CID 70021569
4-[[(11E)-11-ethylidene-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]oxy]butanoic acid
CID 71002668
8-fluoro-11-[1-(3-nitrophenyl)propylidene]-5H-[1]benzoxepino[3,4-b]pyridine
CID 66675207
2-(bromomethylidene)-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68887450
(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
CID 142906679
(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59770481
9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
CID 22998966
9-chloro-5H-[1]benzoxepino[3,4-b]pyridin-11-one
CID 14027774

Frequently Asked Questions

What is the IUPAC name of 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine?
The IUPAC name of 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine (CID 72556945) is 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine.
What is the SMILES notation for 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine?
The canonical SMILES for 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine is CC=C1c2ccc(F)cc2OCc2ncccc21.
What is the InChIKey of 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine?
The InChIKey is BAVCRKVLTSAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-2-11-12-4-3-7-17-14(12)9-18-15-8-10(16)5-6-13(11)15/h2-8H,9H2,1H3.
What are the key properties of 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine?
11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine has a molecular weight of 241.27 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethylidene-8-fluoro-5H-[1]benzoxepino[3,4-b]pyridine is sourced from PubChem (CID 72556945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).