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

C15H8ClNO2 — CID 162643643

IUPAC2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione
SMILESO=C1C=C(c2ccc(Cl)nc2)C(=O)c2ccccc21
InChIInChI=1S/C15H8ClNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H
InChIKeyCQXWGFXLHLMTAP-UHFFFAOYSA-N
MW269.69 g/mol
LogP3.20
Rot. Bonds1

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

2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione (PubChem CID 162643643) has the molecular formula C15H8ClNO2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione
PubChem CID162643643
Molecular FormulaC15H8ClNO2
Molecular Weight269.69 g/mol
Exact Mass269.02
IUPAC Name2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione
SMILESO=C1C=C(c2ccc(Cl)nc2)C(=O)c2ccccc21
InChIInChI=1S/C15H8ClNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H
InChIKeyCQXWGFXLHLMTAP-UHFFFAOYSA-N
XLogP3.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 53.20
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-chloro-3-pyridinyl)naphthalene-1,4-dione?
The IUPAC name of 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione (CID 162643643) is 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione is O=C1C=C(c2ccc(Cl)nc2)C(=O)c2ccccc21.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione?
The InChIKey is CQXWGFXLHLMTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO2/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-chloro-3-pyridinyl)naphthalene-1,4-dione?
2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione has a molecular weight of 269.69 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione is sourced from PubChem (CID 162643643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).