(3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one

C15H10FNO2 — CID 51095109

IUPAC(3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C/c2cccnc2)COc2c(F)cccc21
InChIInChI=1S/C15H10FNO2/c16-13-5-1-4-12-14(18)11(9-19-15(12)13)7-10-3-2-6-17-8-10/h1-8H,9H2/b11-7+
InChIKeyKVAYUJCIHGNAJC-YRNVUSSQSA-N
MW255.25 g/mol
LogP2.88
Rot. Bonds1

About (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one

(3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one (PubChem CID 51095109) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one
PubChem CID51095109
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name(3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one
SMILESO=C1/C(=C/c2cccnc2)COc2c(F)cccc21
InChIInChI=1S/C15H10FNO2/c16-13-5-1-4-12-14(18)11(9-19-15(12)13)7-10-3-2-6-17-8-10/h1-8H,9H2/b11-7+
InChIKeyKVAYUJCIHGNAJC-YRNVUSSQSA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one?
The IUPAC name of (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one (CID 51095109) is (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one.
What is the SMILES notation for (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one?
The canonical SMILES for (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one is O=C1/C(=C/c2cccnc2)COc2c(F)cccc21.
What is the InChIKey of (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one?
The InChIKey is KVAYUJCIHGNAJC-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-13-5-1-4-12-14(18)11(9-19-15(12)13)7-10-3-2-6-17-8-10/h1-8H,9H2/b11-7+.
What are the key properties of (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one?
(3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one has a molecular weight of 255.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-fluoro-3-(pyridin-3-ylmethylidene)chromen-4-one is sourced from PubChem (CID 51095109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).