6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one

C8H4ClN3O2 — CID 87160749

IUPAC6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one
SMILESO=Nc1c[nH]c2ccc(Cl)nc2c1=O
InChIInChI=1S/C8H4ClN3O2/c9-6-2-1-4-7(11-6)8(13)5(12-14)3-10-4/h1-3H,(H,10,13)
InChIKeyHVFIEXLXIBSMTR-UHFFFAOYSA-N
MW209.59 g/mol
LogP1.97
Rot. Bonds1

About 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one

6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one (PubChem CID 87160749) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one
PubChem CID87160749
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one
SMILESO=Nc1c[nH]c2ccc(Cl)nc2c1=O
InChIInChI=1S/C8H4ClN3O2/c9-6-2-1-4-7(11-6)8(13)5(12-14)3-10-4/h1-3H,(H,10,13)
InChIKeyHVFIEXLXIBSMTR-UHFFFAOYSA-N
XLogP1.97
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one?
The IUPAC name of 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one (CID 87160749) is 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one is O=Nc1c[nH]c2ccc(Cl)nc2c1=O.
What is the InChIKey of 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one?
The InChIKey is HVFIEXLXIBSMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-6-2-1-4-7(11-6)8(13)5(12-14)3-10-4/h1-3H,(H,10,13).
What are the key properties of 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one?
6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one has a molecular weight of 209.59 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 87160749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).