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

C8H5ClN2O — CID 73198778

IUPAC6-chloro-6H-1,7-naphthyridin-2-one
SMILESO=C1C=CC2=CC(Cl)N=CC2=N1
InChIInChI=1S/C8H5ClN2O/c9-7-3-5-1-2-8(12)11-6(5)4-10-7/h1-4,7H
InChIKeyPVBPIUUPLXMKCF-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.10
Rot. Bonds

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

6-chloro-6H-1,7-naphthyridin-2-one (PubChem CID 73198778) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 6-chloro-6H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-chloro-6H-1,7-naphthyridin-2-one
PubChem CID73198778
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name6-chloro-6H-1,7-naphthyridin-2-one
SMILESO=C1C=CC2=CC(Cl)N=CC2=N1
InChIInChI=1S/C8H5ClN2O/c9-7-3-5-1-2-8(12)11-6(5)4-10-7/h1-4,7H
InChIKeyPVBPIUUPLXMKCF-UHFFFAOYSA-N
XLogP1.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 89189092
1,7-Naphthyridine-2,8-dione
CID 160293473
Pyrido[2,3-h][3]benzazepin-2-one;hydrochloride
CID 162321168
2H-1,7-naphthyridin-6-one
CID 168926721
6-chloro-4aH-quinoxalin-2-one
CID 71303938
7-Chloro-1,6-naphthyridin-2(4aH)-one
CID 72218346
7-chloro-4aH-1,5-naphthyridin-2-one
CID 74675882
6-chloro-8aH-isoquinolin-3-one
CID 77306234
7-chloro-8aH-isoquinolin-3-one
CID 77306279
7-chloro-4aH-quinoxalin-2-one
CID 77519943

Frequently Asked Questions

What is the IUPAC name of 6-chloro-6H-1,7-naphthyridin-2-one?
The IUPAC name of 6-chloro-6H-1,7-naphthyridin-2-one (CID 73198778) is 6-chloro-6H-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-chloro-6H-1,7-naphthyridin-2-one?
The canonical SMILES for 6-chloro-6H-1,7-naphthyridin-2-one is O=C1C=CC2=CC(Cl)N=CC2=N1.
What is the InChIKey of 6-chloro-6H-1,7-naphthyridin-2-one?
The InChIKey is PVBPIUUPLXMKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-7-3-5-1-2-8(12)11-6(5)4-10-7/h1-4,7H.
What are the key properties of 6-chloro-6H-1,7-naphthyridin-2-one?
6-chloro-6H-1,7-naphthyridin-2-one has a molecular weight of 180.59 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6H-1,7-naphthyridin-2-one is sourced from PubChem (CID 73198778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).