7-chloro-4aH-1,5-naphthyridin-2-one

C8H5ClN2O — CID 74675882

IUPAC7-chloro-4aH-1,5-naphthyridin-2-one
SMILESO=C1C=CC2N=CC(Cl)=CC2=N1
InChIInChI=1S/C8H5ClN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4,6H
InChIKeyRAYJISQUSYXQKD-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.10
Rot. Bonds

About 7-chloro-4aH-1,5-naphthyridin-2-one

7-chloro-4aH-1,5-naphthyridin-2-one (PubChem CID 74675882) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-4aH-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-4aH-1,5-naphthyridin-2-one
PubChem CID74675882
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-4aH-1,5-naphthyridin-2-one
SMILESO=C1C=CC2N=CC(Cl)=CC2=N1
InChIInChI=1S/C8H5ClN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4,6H
InChIKeyRAYJISQUSYXQKD-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

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Related Compounds

7-fluoro-4aH-1,5-naphthyridin-2-one
CID 75247395
7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one
CID 178188834
4aH-quinoxalin-2-one
CID 71650629
6H-1,5-naphthyridin-2-one
CID 175139967
6-chloro-4aH-quinoxalin-2-one
CID 71303938
7-Chloro-1,6-naphthyridin-2(4aH)-one
CID 72218346
6-chloro-6H-1,7-naphthyridin-2-one
CID 73198778
7-bromo-4aH-1,5-naphthyridin-2-one
CID 76619277
7-chloro-4aH-quinoxalin-2-one
CID 77519943
4aH-1,5-naphthyridin-2-one
CID 77520509

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4aH-1,5-naphthyridin-2-one?
The IUPAC name of 7-chloro-4aH-1,5-naphthyridin-2-one (CID 74675882) is 7-chloro-4aH-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-4aH-1,5-naphthyridin-2-one?
The canonical SMILES for 7-chloro-4aH-1,5-naphthyridin-2-one is O=C1C=CC2N=CC(Cl)=CC2=N1.
What is the InChIKey of 7-chloro-4aH-1,5-naphthyridin-2-one?
The InChIKey is RAYJISQUSYXQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4,6H.
What are the key properties of 7-chloro-4aH-1,5-naphthyridin-2-one?
7-chloro-4aH-1,5-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 7-chloro-4aH-1,5-naphthyridin-2-one is sourced from PubChem (CID 74675882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).