2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione

C15H8FNO2 — CID 162671177

IUPAC2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione
SMILESO=C1C=C(c2ccc(F)nc2)C(=O)c2ccccc21
InChIInChI=1S/C15H8FNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H
InChIKeyODVMCMKPLOWMCY-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.68
Rot. Bonds1

About 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione

2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione (PubChem CID 162671177) has the molecular formula C15H8FNO2 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione
PubChem CID162671177
Molecular FormulaC15H8FNO2
Molecular Weight253.23 g/mol
Exact Mass253.05
IUPAC Name2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione
SMILESO=C1C=C(c2ccc(F)nc2)C(=O)c2ccccc21
InChIInChI=1S/C15H8FNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H
InChIKeyODVMCMKPLOWMCY-UHFFFAOYSA-N
XLogP2.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione (CID 162671177) is 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione is O=C1C=C(c2ccc(F)nc2)C(=O)c2ccccc21.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione?
The InChIKey is ODVMCMKPLOWMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H.
What are the key properties of 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione?
2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione has a molecular weight of 253.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)naphthalene-1,4-dione is sourced from PubChem (CID 162671177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).