4,6-dichloro-2H-2,7-naphthyridin-1-one

C8H4Cl2N2O — CID 134830487

IUPAC4,6-dichloro-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(Cl)c2cc(Cl)ncc12
InChIInChI=1S/C8H4Cl2N2O/c9-6-3-12-8(13)5-2-11-7(10)1-4(5)6/h1-3H,(H,12,13)
InChIKeyHZDCXLOERGXOGY-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.23
Rot. Bonds

About 4,6-dichloro-2H-2,7-naphthyridin-1-one

4,6-dichloro-2H-2,7-naphthyridin-1-one (PubChem CID 134830487) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 4,6-dichloro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4,6-dichloro-2H-2,7-naphthyridin-1-one
PubChem CID134830487
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name4,6-dichloro-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(Cl)c2cc(Cl)ncc12
InChIInChI=1S/C8H4Cl2N2O/c9-6-3-12-8(13)5-2-11-7(10)1-4(5)6/h1-3H,(H,12,13)
InChIKeyHZDCXLOERGXOGY-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4,6-dichloro-2H-2,7-naphthyridin-1-one (CID 134830487) is 4,6-dichloro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4,6-dichloro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4,6-dichloro-2H-2,7-naphthyridin-1-one is O=c1[nH]cc(Cl)c2cc(Cl)ncc12.
What is the InChIKey of 4,6-dichloro-2H-2,7-naphthyridin-1-one?
The InChIKey is HZDCXLOERGXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-6-3-12-8(13)5-2-11-7(10)1-4(5)6/h1-3H,(H,12,13).
What are the key properties of 4,6-dichloro-2H-2,7-naphthyridin-1-one?
4,6-dichloro-2H-2,7-naphthyridin-1-one has a molecular weight of 215.04 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 134830487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).