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

C14H10FNO — CID 59770442

IUPAC8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
SMILESC=C1c2ccc(F)cc2OCc2ncccc21
InChIInChI=1S/C14H10FNO/c1-9-11-3-2-6-16-13(11)8-17-14-7-10(15)4-5-12(9)14/h2-7H,1,8H2
InChIKeyNZLVPXXARXSJBN-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.17
Rot. Bonds

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

8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine (PubChem CID 59770442) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine.

Molecular Properties

Compound Name8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
PubChem CID59770442
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
SMILESC=C1c2ccc(F)cc2OCc2ncccc21
InChIInChI=1S/C14H10FNO/c1-9-11-3-2-6-16-13(11)8-17-14-7-10(15)4-5-12(9)14/h2-7H,1,8H2
InChIKeyNZLVPXXARXSJBN-UHFFFAOYSA-N
XLogP3.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pilavapadin
CID 118419773
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
The IUPAC name of 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine (CID 59770442) is 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine.
What is the SMILES notation for 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
The canonical SMILES for 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine is C=C1c2ccc(F)cc2OCc2ncccc21.
What is the InChIKey of 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
The InChIKey is NZLVPXXARXSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-9-11-3-2-6-16-13(11)8-17-14-7-10(15)4-5-12(9)14/h2-7H,1,8H2.
What are the key properties of 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine has a molecular weight of 227.24 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine is sourced from PubChem (CID 59770442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).