7-chloro-2H-2,6-naphthyridin-1-one

C8H5ClN2O — CID 130764227

IUPAC7-chloro-2H-2,6-naphthyridin-1-one
SMILESO=c1[nH]ccc2cnc(Cl)cc12
InChIInChI=1S/C8H5ClN2O/c9-7-3-6-5(4-11-7)1-2-10-8(6)12/h1-4H,(H,10,12)
InChIKeyLWBOYUZYAWEGJL-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.58
Rot. Bonds

About 7-chloro-2H-2,6-naphthyridin-1-one

7-chloro-2H-2,6-naphthyridin-1-one (PubChem CID 130764227) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-2H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name7-chloro-2H-2,6-naphthyridin-1-one
PubChem CID130764227
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-2H-2,6-naphthyridin-1-one
SMILESO=c1[nH]ccc2cnc(Cl)cc12
InChIInChI=1S/C8H5ClN2O/c9-7-3-6-5(4-11-7)1-2-10-8(6)12/h1-4H,(H,10,12)
InChIKeyLWBOYUZYAWEGJL-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.58
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 7-chloro-2H-2,6-naphthyridin-1-one?
The IUPAC name of 7-chloro-2H-2,6-naphthyridin-1-one (CID 130764227) is 7-chloro-2H-2,6-naphthyridin-1-one.
What is the SMILES notation for 7-chloro-2H-2,6-naphthyridin-1-one?
The canonical SMILES for 7-chloro-2H-2,6-naphthyridin-1-one is O=c1[nH]ccc2cnc(Cl)cc12.
What is the InChIKey of 7-chloro-2H-2,6-naphthyridin-1-one?
The InChIKey is LWBOYUZYAWEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-7-3-6-5(4-11-7)1-2-10-8(6)12/h1-4H,(H,10,12).
What are the key properties of 7-chloro-2H-2,6-naphthyridin-1-one?
7-chloro-2H-2,6-naphthyridin-1-one has a molecular weight of 180.59 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2H-2,6-naphthyridin-1-one is sourced from PubChem (CID 130764227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).